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

C7H10N2O2 — CID 97169977

IUPAC(2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid
SMILESN[C@@H](CC1=NC=CC1)C(=O)O
InChIInChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h1,3,6H,2,4,8H2,(H,10,11)/t6-/m0/s1
InChIKeyIGJLYPVAZKRSRV-LURJTMIESA-N
MW154.17 g/mol
LogP0.15
Rot. Bonds3

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

(2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid (PubChem CID 97169977) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid
PubChem CID97169977
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid
SMILESN[C@@H](CC1=NC=CC1)C(=O)O
InChIInChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h1,3,6H,2,4,8H2,(H,10,11)/t6-/m0/s1
InChIKeyIGJLYPVAZKRSRV-LURJTMIESA-N
XLogP0.15
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
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2-amino-3-phenylpropanoic acid;azane
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(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid (CID 97169977) is (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid is N[C@@H](CC1=NC=CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid?
The InChIKey is IGJLYPVAZKRSRV-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h1,3,6H,2,4,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid?
(2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 97169977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).