(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid

C7H10N2O2 — CID 54468724

IUPAC(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccc[nH]1)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11)9-6-3-2-4-8-6/h2-5,8-9H,1H3,(H,10,11)/t5-/m0/s1
InChIKeyXGUIFUMAHBYCME-YFKPBYRVSA-N
MW154.17 g/mol
LogP0.90
Rot. Bonds3

About (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid

(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid (PubChem CID 54468724) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid
PubChem CID54468724
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccc[nH]1)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11)9-6-3-2-4-8-6/h2-5,8-9H,1H3,(H,10,11)/t5-/m0/s1
InChIKeyXGUIFUMAHBYCME-YFKPBYRVSA-N
XLogP0.90
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid (CID 54468724) is (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid is C[C@H](Nc1ccc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid?
The InChIKey is XGUIFUMAHBYCME-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(7(10)11)9-6-3-2-4-8-6/h2-5,8-9H,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid?
(2S)-2-(1H-pyrrol-2-ylamino)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrrol-2-ylamino)propanoic acid is sourced from PubChem (CID 54468724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).