[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid

C12H15N5O3 — CID 135238899

IUPAC[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESCOc1ccc([C@H](C)[C@H](NC(=O)O)c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O3/c1-7(8-3-5-9(20-2)6-4-8)10(13-12(18)19)11-14-16-17-15-11/h3-7,10,13H,1-2H3,(H,18,19)(H,14,15,16,17)/t7-,10-/m0/s1
InChIKeyKVFQESUGVKYMOY-XVKPBYJWSA-N
MW277.28 g/mol
LogP1.32
Rot. Bonds5

About [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid

[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid (PubChem CID 135238899) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
PubChem CID135238899
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESCOc1ccc([C@H](C)[C@H](NC(=O)O)c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O3/c1-7(8-3-5-9(20-2)6-4-8)10(13-12(18)19)11-14-16-17-15-11/h3-7,10,13H,1-2H3,(H,18,19)(H,14,15,16,17)/t7-,10-/m0/s1
InChIKeyKVFQESUGVKYMOY-XVKPBYJWSA-N
XLogP1.32
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)propanoate
CID 112511636
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
CID 175117107
[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
CID 19938437
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
CID 175120108
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60929573
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid (CID 135238899) is [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid.
What is the SMILES notation for [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The canonical SMILES for [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid is COc1ccc([C@H](C)[C@H](NC(=O)O)c2nn[nH]n2)cc1.
What is the InChIKey of [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The InChIKey is KVFQESUGVKYMOY-XVKPBYJWSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7(8-3-5-9(20-2)6-4-8)10(13-12(18)19)11-14-16-17-15-11/h3-7,10,13H,1-2H3,(H,18,19)(H,14,15,16,17)/t7-,10-/m0/s1.
What are the key properties of [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid has a molecular weight of 277.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid is sourced from PubChem (CID 135238899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).