(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid

C10H9N5O3 — CID 104897054

IUPAC(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H9N5O3/c16-9(8-12-14-15-13-8)11-7(10(17)18)6-4-2-1-3-5-6/h1-5,7H,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1
InChIKeyQPFTWVJBZRARRL-ZETCQYMHSA-N
MW247.21 g/mol
LogP-0.24
Rot. Bonds4

About (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid

(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid (PubChem CID 104897054) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
PubChem CID104897054
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H9N5O3/c16-9(8-12-14-15-13-8)11-7(10(17)18)6-4-2-1-3-5-6/h1-5,7H,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1
InChIKeyQPFTWVJBZRARRL-ZETCQYMHSA-N
XLogP-0.24
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide
CID 154945979
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid?
The IUPAC name of (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid (CID 104897054) is (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1nn[nH]n1.
What is the InChIKey of (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid?
The InChIKey is QPFTWVJBZRARRL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-9(8-12-14-15-13-8)11-7(10(17)18)6-4-2-1-3-5-6/h1-5,7H,(H,11,16)(H,17,18)(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid?
(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid has a molecular weight of 247.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid is sourced from PubChem (CID 104897054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).