(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid

C14H21N3O4 — CID 107824874

IUPAC(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H21N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h1-2,8,10-11,15,18H,3-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeyAAZKLSVIXGDWGB-NSHDSACASA-N
MW295.34 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 107824874) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID107824874
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H21N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h1-2,8,10-11,15,18H,3-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1
InChIKeyAAZKLSVIXGDWGB-NSHDSACASA-N
XLogP-0.02
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
CID 43639324
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115740642
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61144073
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715939
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243692
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid (CID 107824874) is (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1cccn1C1CCNCC1.
What is the InChIKey of (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is AAZKLSVIXGDWGB-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h1-2,8,10-11,15,18H,3-7,9H2,(H,16,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107824874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).