(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide

C10H12N6O — CID 54991235

IUPAC(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H12N6O/c1-7(11)10(17)13-8-3-2-4-9(5-8)16-6-12-14-15-16/h2-7H,11H2,1H3,(H,13,17)/t7-/m1/s1
InChIKeyCKQWBUIKJINFBE-SSDOTTSWSA-N
MW232.25 g/mol
LogP-0.05
Rot. Bonds3

About (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide

(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 54991235) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID54991235
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H12N6O/c1-7(11)10(17)13-8-3-2-4-9(5-8)16-6-12-14-15-16/h2-7H,11H2,1H3,(H,13,17)/t7-/m1/s1
InChIKeyCKQWBUIKJINFBE-SSDOTTSWSA-N
XLogP-0.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide (CID 54991235) is (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is CKQWBUIKJINFBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7(11)10(17)13-8-3-2-4-9(5-8)16-6-12-14-15-16/h2-7H,11H2,1H3,(H,13,17)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide?
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 232.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 54991235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).