(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

C13H18N6O — CID 61178099

IUPAC(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@@H](N)C(C)C)c1
InChIInChI=1S/C13H18N6O/c1-8(2)12(14)13(20)15-10-5-4-6-11(7-10)19-9(3)16-17-18-19/h4-8,12H,14H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyPKHXVHNHXOVUCQ-LBPRGKRZSA-N
MW274.33 g/mol
LogP0.89
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (PubChem CID 61178099) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
PubChem CID61178099
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@@H](N)C(C)C)c1
InChIInChI=1S/C13H18N6O/c1-8(2)12(14)13(20)15-10-5-4-6-11(7-10)19-9(3)16-17-18-19/h4-8,12H,14H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyPKHXVHNHXOVUCQ-LBPRGKRZSA-N
XLogP0.89
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (CID 61178099) is (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is Cc1nnnn1-c1cccc(NC(=O)[C@@H](N)C(C)C)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The InChIKey is PKHXVHNHXOVUCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(2)12(14)13(20)15-10-5-4-6-11(7-10)19-9(3)16-17-18-19/h4-8,12H,14H2,1-3H3,(H,15,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 61178099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).