(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid

C9H16N2O3S — CID 107565112

IUPAC(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-2-3-6(9(13)14)11-8(12)7-4-15-5-10-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1
InChIKeyNKBQGJFFMFPPHT-PKPIPKONSA-N
MW232.30 g/mol
LogP0.02
Rot. Bonds5

About (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid

(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid (PubChem CID 107565112) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
PubChem CID107565112
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-2-3-6(9(13)14)11-8(12)7-4-15-5-10-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1
InChIKeyNKBQGJFFMFPPHT-PKPIPKONSA-N
XLogP0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 107825017
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107824460
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid (CID 107565112) is (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid is CCC[C@H](NC(=O)C1CSCN1)C(=O)O.
What is the InChIKey of (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The InChIKey is NKBQGJFFMFPPHT-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-3-6(9(13)14)11-8(12)7-4-15-5-10-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid has a molecular weight of 232.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 107565112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).