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

C17H24N6O2 — CID 119812445

IUPAC(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C17H24N6O2/c1-10(2)8-13(18)17(24)19-12-6-7-15(25-3)14(9-12)23-16(11-4-5-11)20-21-22-23/h6-7,9-11,13H,4-5,8,18H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyKKAPNNKHEVIXIL-ZDUSSCGKSA-N
MW344.42 g/mol
LogP1.86
Rot. Bonds7

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

(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide (PubChem CID 119812445) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
PubChem CID119812445
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C17H24N6O2/c1-10(2)8-13(18)17(24)19-12-6-7-15(25-3)14(9-12)23-16(11-4-5-11)20-21-22-23/h6-7,9-11,13H,4-5,8,18H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyKKAPNNKHEVIXIL-ZDUSSCGKSA-N
XLogP1.86
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-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

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
CID 119795296
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
CID 119340060
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407
5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
CID 120637506
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide (CID 119812445) is (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide is COc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1-n1nnnc1C1CC1.
What is the InChIKey of (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide?
The InChIKey is KKAPNNKHEVIXIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10(2)8-13(18)17(24)19-12-6-7-15(25-3)14(9-12)23-16(11-4-5-11)20-21-22-23/h6-7,9-11,13H,4-5,8,18H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide has a molecular weight of 344.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide is sourced from PubChem (CID 119812445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).