(2S)-2-[bis(carboxymethyl)amino]propanoic acid

C7H11NO6 — CID 18656106

IUPAC(2S)-2-[bis(carboxymethyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyCIEZZGWIJBXOTE-BYPYZUCNSA-N
MW205.17 g/mol
LogP-1.07
Rot. Bonds6

About (2S)-2-[bis(carboxymethyl)amino]propanoic acid

(2S)-2-[bis(carboxymethyl)amino]propanoic acid (PubChem CID 18656106) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S)-2-[bis(carboxymethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(carboxymethyl)amino]propanoic acid
PubChem CID18656106
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name(2S)-2-[bis(carboxymethyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyCIEZZGWIJBXOTE-BYPYZUCNSA-N
XLogP-1.07
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[bis(carboxymethyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[bis(carboxymethyl)amino]propanoic acid (CID 18656106) is (2S)-2-[bis(carboxymethyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[bis(carboxymethyl)amino]propanoic acid is C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of (2S)-2-[bis(carboxymethyl)amino]propanoic acid?
The InChIKey is CIEZZGWIJBXOTE-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-2-[bis(carboxymethyl)amino]propanoic acid?
(2S)-2-[bis(carboxymethyl)amino]propanoic acid has a molecular weight of 205.17 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(carboxymethyl)amino]propanoic acid is sourced from PubChem (CID 18656106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).