(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid

C11H18N2O6 — CID 103942890

IUPAC(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
SMILESCC(O)C1CCN(C(=O)N[C@@H](CC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-6(14)7-2-3-13(5-7)11(19)12-8(10(17)18)4-9(15)16/h6-8,14H,2-5H2,1H3,(H,12,19)(H,15,16)(H,17,18)/t6?,7?,8-/m0/s1
InChIKeyCKBLFWFJUVPHJA-RRQHEKLDSA-N
MW274.27 g/mol
LogP-0.67
Rot. Bonds5

About (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid

(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid (PubChem CID 103942890) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
PubChem CID103942890
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
SMILESCC(O)C1CCN(C(=O)N[C@@H](CC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-6(14)7-2-3-13(5-7)11(19)12-8(10(17)18)4-9(15)16/h6-8,14H,2-5H2,1H3,(H,12,19)(H,15,16)(H,17,18)/t6?,7?,8-/m0/s1
InChIKeyCKBLFWFJUVPHJA-RRQHEKLDSA-N
XLogP-0.67
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic 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-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid?
The IUPAC name of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid (CID 103942890) is (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid?
The canonical SMILES for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid is CC(O)C1CCN(C(=O)N[C@@H](CC(=O)O)C(=O)O)C1.
What is the InChIKey of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid?
The InChIKey is CKBLFWFJUVPHJA-RRQHEKLDSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-6(14)7-2-3-13(5-7)11(19)12-8(10(17)18)4-9(15)16/h6-8,14H,2-5H2,1H3,(H,12,19)(H,15,16)(H,17,18)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid?
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid has a molecular weight of 274.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid is sourced from PubChem (CID 103942890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).