(2S)-2-(carboxymethylamino)pentanedioic acid

C7H11NO6 — CID 22802577

IUPAC(2S)-2-(carboxymethylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)2-1-4(7(13)14)8-3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyYITYVXUAFSMRJI-BYPYZUCNSA-N
MW205.17 g/mol
LogP-1.02
Rot. Bonds7

About (2S)-2-(carboxymethylamino)pentanedioic acid

(2S)-2-(carboxymethylamino)pentanedioic acid (PubChem CID 22802577) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S)-2-(carboxymethylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(carboxymethylamino)pentanedioic acid
PubChem CID22802577
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name(2S)-2-(carboxymethylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)2-1-4(7(13)14)8-3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyYITYVXUAFSMRJI-BYPYZUCNSA-N
XLogP-1.02
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(carboxymethylamino)pentanedioic 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

L-Glutamic Acid
CID 33032
N-acetyl-L-glutamic acid
CID 70914
Carglumic Acid
CID 121396
D-Glutamic Acid
CID 23327
DL-Glutamic acid
CID 611
Glutamic Acid Hydrochloride
CID 2723891
Monosodium Glutamate
CID 23689119
N-acetylglutamic acid
CID 185
Saccharopine
CID 160556
Sodium Glutamate
CID 23672308
N-methyl-L-glutamic acid
CID 439377
Monopotassium glutamate
CID 23695977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carboxymethylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(carboxymethylamino)pentanedioic acid (CID 22802577) is (2S)-2-(carboxymethylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(carboxymethylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(carboxymethylamino)pentanedioic acid is O=C(O)CC[C@H](NCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(carboxymethylamino)pentanedioic acid?
The InChIKey is YITYVXUAFSMRJI-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11NO6/c9-5(10)2-1-4(7(13)14)8-3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-2-(carboxymethylamino)pentanedioic acid?
(2S)-2-(carboxymethylamino)pentanedioic acid has a molecular weight of 205.17 g/mol, XLogP of -1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carboxymethylamino)pentanedioic acid is sourced from PubChem (CID 22802577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).