(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid

C14H17N5O3 — CID 119361740

IUPAC(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)O
InChIInChI=1S/C14H17N5O3/c1-9(2)6-12(14(21)22)16-13(20)10-4-3-5-11(7-10)19-8-15-17-18-19/h3-5,7-9,12H,6H2,1-2H3,(H,16,20)(H,21,22)/t12-/m0/s1
InChIKeyORULXQYHHINBSY-LBPRGKRZSA-N
MW303.32 g/mol
LogP0.89
Rot. Bonds6

About (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid (PubChem CID 119361740) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
PubChem CID119361740
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)O
InChIInChI=1S/C14H17N5O3/c1-9(2)6-12(14(21)22)16-13(20)10-4-3-5-11(7-10)19-8-15-17-18-19/h3-5,7-9,12H,6H2,1-2H3,(H,16,20)(H,21,22)/t12-/m0/s1
InChIKeyORULXQYHHINBSY-LBPRGKRZSA-N
XLogP0.89
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
methyl 4-methylsulfanyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]butanoate
CID 71949726
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
CID 27448142
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid (CID 119361740) is (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The InChIKey is ORULXQYHHINBSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9(2)6-12(14(21)22)16-13(20)10-4-3-5-11(7-10)19-8-15-17-18-19/h3-5,7-9,12H,6H2,1-2H3,(H,16,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid has a molecular weight of 303.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119361740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).