(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O9 — CID 67304843

IUPAC(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)CC[C@H](NC(=O)O)C(=O)O.O=C(O)[C@H]1NCCC1O
InChIInChI=1S/C6H9NO6.C5H9NO3/c8-4(9)2-1-3(5(10)11)7-6(12)13;7-3-1-2-6-4(3)5(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);3-4,6-7H,1-2H2,(H,8,9)/t3-;3?,4-/m00/s1
InChIKeyJPNXUQQUUFFDHJ-DOFOJEBQSA-N
MW322.27 g/mol
LogP-1.63
Rot. Bonds6

About (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid

(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 67304843) has the molecular formula C11H18N2O9 and a molecular weight of 322.27 g/mol. Its IUPAC name is (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID67304843
Molecular FormulaC11H18N2O9
Molecular Weight322.27 g/mol
Exact Mass322.10
IUPAC Name(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)CC[C@H](NC(=O)O)C(=O)O.O=C(O)[C@H]1NCCC1O
InChIInChI=1S/C6H9NO6.C5H9NO3/c8-4(9)2-1-3(5(10)11)7-6(12)13;7-3-1-2-6-4(3)5(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);3-4,6-7H,1-2H2,(H,8,9)/t3-;3?,4-/m00/s1
InChIKeyJPNXUQQUUFFDHJ-DOFOJEBQSA-N
XLogP-1.63
TPSA193.49 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic 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

(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
CID 61160783
(2S)-2-(piperidin-4-ylcarbamoylamino)pentanedioic acid
CID 61402901
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanedioic acid
CID 104865051
(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
CID 102516015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid (CID 67304843) is (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid is O=C(O)CC[C@H](NC(=O)O)C(=O)O.O=C(O)[C@H]1NCCC1O.
What is the InChIKey of (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JPNXUQQUUFFDHJ-DOFOJEBQSA-N. The full InChI is InChI=1S/C6H9NO6.C5H9NO3/c8-4(9)2-1-3(5(10)11)7-6(12)13;7-3-1-2-6-4(3)5(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);3-4,6-7H,1-2H2,(H,8,9)/t3-;3?,4-/m00/s1.
What are the key properties of (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid?
(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 322.27 g/mol, XLogP of -1.63, 6 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67304843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).