(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

C11H14N6O — CID 54991442

IUPAC(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C11H14N6O/c1-7(12)11(18)13-9-5-3-4-8(6-9)10-14-15-16-17(10)2/h3-7H,12H2,1-2H3,(H,13,18)/t7-/m1/s1
InChIKeyGOUBRWAIAXIWJD-SSDOTTSWSA-N
MW246.27 g/mol
LogP0.16
Rot. Bonds3

About (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (PubChem CID 54991442) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
PubChem CID54991442
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C11H14N6O/c1-7(12)11(18)13-9-5-3-4-8(6-9)10-14-15-16-17(10)2/h3-7H,12H2,1-2H3,(H,13,18)/t7-/m1/s1
InChIKeyGOUBRWAIAXIWJD-SSDOTTSWSA-N
XLogP0.16
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55497525
2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 55832469
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26122706
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939
4-methoxy-N-[3-methyl-1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 46700138
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (CID 54991442) is (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is GOUBRWAIAXIWJD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(12)11(18)13-9-5-3-4-8(6-9)10-14-15-16-17(10)2/h3-7H,12H2,1-2H3,(H,13,18)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.16, 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-(1-methyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 54991442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).