2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid

C12H20N2O8 — CID 158317116

IUPAC2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O8/c1-8(15)2-13(5-10(17)18)3-9(16)4-14(6-11(19)20)7-12(21)22/h9,16H,2-7H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFTTBRPQBFIMKSR-UHFFFAOYSA-N
MW320.30 g/mol
LogP-2.21
Rot. Bonds12

About 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid

2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid (PubChem CID 158317116) has the molecular formula C12H20N2O8 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
PubChem CID158317116
Molecular FormulaC12H20N2O8
Molecular Weight320.30 g/mol
Exact Mass320.12
IUPAC Name2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O8/c1-8(15)2-13(5-10(17)18)3-9(16)4-14(6-11(19)20)7-12(21)22/h9,16H,2-7H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyFTTBRPQBFIMKSR-UHFFFAOYSA-N
XLogP-2.21
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901716
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
CID 103102939
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid (CID 158317116) is 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid is CC(=O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid?
The InChIKey is FTTBRPQBFIMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O8/c1-8(15)2-13(5-10(17)18)3-9(16)4-14(6-11(19)20)7-12(21)22/h9,16H,2-7H2,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid?
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid has a molecular weight of 320.30 g/mol, XLogP of -2.21, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid is sourced from PubChem (CID 158317116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).