(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid

C7H10N2O3 — CID 131059457

IUPAC(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1[nH]ccc1O
InChIInChI=1S/C7H10N2O3/c8-4(3-6(11)12)7-5(10)1-2-9-7/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m0/s1
InChIKeyJGUMKTZYWINALY-BYPYZUCNSA-N
MW170.17 g/mol
LogP0.19
Rot. Bonds3

About (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid

(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid (PubChem CID 131059457) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid
PubChem CID131059457
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1[nH]ccc1O
InChIInChI=1S/C7H10N2O3/c8-4(3-6(11)12)7-5(10)1-2-9-7/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m0/s1
InChIKeyJGUMKTZYWINALY-BYPYZUCNSA-N
XLogP0.19
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(3-cyano-1H-pyrrol-2-yl)propanoic acid
CID 130650607
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CID 130718416
(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid
CID 130666351
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
(3S)-3-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273447
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
(3S)-3-amino-3-(3,5-dihydroxyphenyl)propanoic acid
CID 55273061
(3R)-3-amino-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)propanoic acid
CID 130723648
(3S)-3-amino-3-(2-hydroxy-5-sulfanylphenyl)propanoic acid
CID 130744380
(3R)-3-amino-3-(2-hydroxy-4-sulfanylphenyl)propanoic acid
CID 131038262

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid (CID 131059457) is (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid is N[C@@H](CC(=O)O)c1[nH]ccc1O.
What is the InChIKey of (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The InChIKey is JGUMKTZYWINALY-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-4(3-6(11)12)7-5(10)1-2-9-7/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m0/s1.
What are the key properties of (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid?
(3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3-hydroxy-1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 131059457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).