(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

C14H20N6O — CID 104902927

IUPAC(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C14H20N6O/c1-9(2)7-13(15)14(21)16-11-5-4-6-12(8-11)20-10(3)17-18-19-20/h4-6,8-9,13H,7,15H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeySTVFAXXBDUBMLP-CYBMUJFWSA-N
MW288.36 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (PubChem CID 104902927) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
PubChem CID104902927
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C14H20N6O/c1-9(2)7-13(15)14(21)16-11-5-4-6-12(8-11)20-10(3)17-18-19-20/h4-6,8-9,13H,7,15H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeySTVFAXXBDUBMLP-CYBMUJFWSA-N
XLogP1.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
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
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (CID 104902927) is (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is Cc1nnnn1-c1cccc(NC(=O)[C@H](N)CC(C)C)c1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The InChIKey is STVFAXXBDUBMLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)7-13(15)14(21)16-11-5-4-6-12(8-11)20-10(3)17-18-19-20/h4-6,8-9,13H,7,15H2,1-3H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide has a molecular weight of 288.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 104902927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).