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

C13H15ClN6O — CID 119330131

IUPAC(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C13H15ClN6O/c1-7(15)13(21)16-9-4-5-10(14)11(6-9)20-12(8-2-3-8)17-18-19-20/h4-8H,2-3,15H2,1H3,(H,16,21)/t7-/m0/s1
InChIKeyQQHSXTAWMSAOOC-ZETCQYMHSA-N
MW306.76 g/mol
LogP1.48
Rot. Bonds4

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

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide (PubChem CID 119330131) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
PubChem CID119330131
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C13H15ClN6O/c1-7(15)13(21)16-9-4-5-10(14)11(6-9)20-12(8-2-3-8)17-18-19-20/h4-8H,2-3,15H2,1H3,(H,16,21)/t7-/m0/s1
InChIKeyQQHSXTAWMSAOOC-ZETCQYMHSA-N
XLogP1.48
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.48
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]-4-methylpentanamide
CID 119795296
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
CID 119795252
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
CID 119340060
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide (CID 119330131) is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide is 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]propanamide?
The InChIKey is QQHSXTAWMSAOOC-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-7(15)13(21)16-9-4-5-10(14)11(6-9)20-12(8-2-3-8)17-18-19-20/h4-8H,2-3,15H2,1H3,(H,16,21)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide?
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 306.76 g/mol, XLogP of 1.48, 4 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]propanamide is sourced from PubChem (CID 119330131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).