2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid

C13H23N3O7 — CID 143021592

IUPAC2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
SMILESCCN(CCN(CC(=O)O)CC(=O)N(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-15(8-12(20)21)4-5-16(9-13(22)23)6-10(17)14(2)7-11(18)19/h3-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyRDAOCSFZSLEYOD-UHFFFAOYSA-N
MW333.34 g/mol
LogP-1.68
Rot. Bonds12

About 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid

2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid (PubChem CID 143021592) has the molecular formula C13H23N3O7 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
PubChem CID143021592
Molecular FormulaC13H23N3O7
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Name2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
SMILESCCN(CCN(CC(=O)O)CC(=O)N(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-15(8-12(20)21)4-5-16(9-13(22)23)6-10(17)14(2)7-11(18)19/h3-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyRDAOCSFZSLEYOD-UHFFFAOYSA-N
XLogP-1.68
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[ethyl(2-oxoethyl)amino]ethyl]amino]acetic acid;ethane
CID 144635961
2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 22902817
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
CID 131881711
CID 131881711
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid (CID 143021592) is 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid is CCN(CCN(CC(=O)O)CC(=O)N(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid?
The InChIKey is RDAOCSFZSLEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O7/c1-3-15(8-12(20)21)4-5-16(9-13(22)23)6-10(17)14(2)7-11(18)19/h3-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid?
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid has a molecular weight of 333.34 g/mol, XLogP of -1.68, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 143021592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).