(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide

C16H22N6O — CID 119699673

IUPAC(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H22N6O/c1-10(2)8-14(17)16(23)18-12-5-3-4-11(9-12)15-19-20-21-22(15)13-6-7-13/h3-5,9-10,13-14H,6-8,17H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyHFGOLCVYCSAQPA-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide

(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 119699673) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID119699673
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H22N6O/c1-10(2)8-14(17)16(23)18-12-5-3-4-11(9-12)15-19-20-21-22(15)13-6-7-13/h3-5,9-10,13-14H,6-8,17H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyHFGOLCVYCSAQPA-AWEZNQCLSA-N
XLogP1.99
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 51945692
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide (CID 119699673) is (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is HFGOLCVYCSAQPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10(2)8-14(17)16(23)18-12-5-3-4-11(9-12)15-19-20-21-22(15)13-6-7-13/h3-5,9-10,13-14H,6-8,17H2,1-2H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 119699673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).