2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid

C13H14N2O2 — CID 62339073

IUPAC2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-13(17)12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h1-8,12,14-15H,9H2,(H,16,17)
InChIKeyNRQUESMKXQUTHM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.93
Rot. Bonds5

About 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid

2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid (PubChem CID 62339073) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid
PubChem CID62339073
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-13(17)12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h1-8,12,14-15H,9H2,(H,16,17)
InChIKeyNRQUESMKXQUTHM-UHFFFAOYSA-N
XLogP1.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid (CID 62339073) is 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid is O=C(O)C(NCc1ccc[nH]1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid?
The InChIKey is NRQUESMKXQUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h1-8,12,14-15H,9H2,(H,16,17).
What are the key properties of 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid?
2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid has a molecular weight of 230.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1H-pyrrol-2-ylmethylamino)acetic acid is sourced from PubChem (CID 62339073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).