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

C16H21ClN6O — CID 119795296

IUPAC(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C16H21ClN6O/c1-9(2)7-13(18)16(24)19-11-5-6-12(17)14(8-11)23-15(10-3-4-10)20-21-22-23/h5-6,8-10,13H,3-4,7,18H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyGVCWXNPKNRYKCV-ZDUSSCGKSA-N
MW348.84 g/mol
LogP2.51
Rot. Bonds6

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

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide (PubChem CID 119795296) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
PubChem CID119795296
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C16H21ClN6O/c1-9(2)7-13(18)16(24)19-11-5-6-12(17)14(8-11)23-15(10-3-4-10)20-21-22-23/h5-6,8-10,13H,3-4,7,18H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyGVCWXNPKNRYKCV-ZDUSSCGKSA-N
XLogP2.51
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
CID 119795252
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
(2S)-2-amino-N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-methylpentanamide;dihydrochloride
CID 119842860
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide (CID 119795296) is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide?
The InChIKey is GVCWXNPKNRYKCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-9(2)7-13(18)16(24)19-11-5-6-12(17)14(8-11)23-15(10-3-4-10)20-21-22-23/h5-6,8-10,13H,3-4,7,18H2,1-2H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide has a molecular weight of 348.84 g/mol, XLogP of 2.51, 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-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 119795296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).