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

C12H16N6O2 — CID 119313707

IUPAC(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N)cc1-n1nnnc1C
InChIInChI=1S/C12H16N6O2/c1-7(13)12(19)14-9-4-5-11(20-3)10(6-9)18-8(2)15-16-17-18/h4-7H,13H2,1-3H3,(H,14,19)/t7-/m0/s1
InChIKeyRRNMKGJOLOLNSM-ZETCQYMHSA-N
MW276.30 g/mol
LogP0.27
Rot. Bonds4

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

(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 119313707) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID119313707
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N)cc1-n1nnnc1C
InChIInChI=1S/C12H16N6O2/c1-7(13)12(19)14-9-4-5-11(20-3)10(6-9)18-8(2)15-16-17-18/h4-7H,13H2,1-3H3,(H,14,19)/t7-/m0/s1
InChIKeyRRNMKGJOLOLNSM-ZETCQYMHSA-N
XLogP0.27
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
2-(2-aminoethyl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120629916
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766640
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 134813277
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 119313707) is (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide is COc1ccc(NC(=O)[C@H](C)N)cc1-n1nnnc1C.
What is the InChIKey of (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is RRNMKGJOLOLNSM-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7(13)12(19)14-9-4-5-11(20-3)10(6-9)18-8(2)15-16-17-18/h4-7H,13H2,1-3H3,(H,14,19)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide?
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 119313707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).