2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid

C21H34N4O18 — CID 88598143

IUPAC2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
SMILESCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O.O=C(O)CNCC(=O)O
InChIInChI=1S/C11H18N2O8.C6H9NO6.C4H7NO4/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;8-4(9)1-7(2-5(10)11)3-6(12)13;6-3(7)1-5-2-4(8)9/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);1-3H2,(H,8,9)(H,10,11)(H,12,13);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyDHIAOGGJDZWRLO-UHFFFAOYSA-N
MW630.51 g/mol
LogP-4.40
Rot. Bonds21

About 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid

2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid (PubChem CID 88598143) has the molecular formula C21H34N4O18 and a molecular weight of 630.51 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
PubChem CID88598143
Molecular FormulaC21H34N4O18
Molecular Weight630.51 g/mol
Exact Mass630.19
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
SMILESCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O.O=C(O)CNCC(=O)O
InChIInChI=1S/C11H18N2O8.C6H9NO6.C4H7NO4/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;8-4(9)1-7(2-5(10)11)3-6(12)13;6-3(7)1-5-2-4(8)9/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);1-3H2,(H,8,9)(H,10,11)(H,12,13);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyDHIAOGGJDZWRLO-UHFFFAOYSA-N
XLogP-4.40
TPSA357.45 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.51
LogP ≤ 5-4.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

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Related Compounds

2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid
CID 158317113
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-(carboxymethylamino)acetic acid
CID 8897
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[[2-[bis(carboxymethyl)amino]-4-hydroxybutyl]amino]acetic acid
CID 87587402

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid (CID 88598143) is 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid is CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O.O=C(O)CNCC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid?
The InChIKey is DHIAOGGJDZWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O8.C6H9NO6.C4H7NO4/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;8-4(9)1-7(2-5(10)11)3-6(12)13;6-3(7)1-5-2-4(8)9/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);1-3H2,(H,8,9)(H,10,11)(H,12,13);5H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid?
2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid has a molecular weight of 630.51 g/mol, XLogP of -4.40, 21 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid is sourced from PubChem (CID 88598143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).