[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid

C11H13N5O3 — CID 118308786

IUPAC[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@@H](COCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O3/c17-11(18)12-9(10-13-15-16-14-10)7-19-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16)/t9-/m0/s1
InChIKeyJMJZCACTGVDCAQ-VIFPVBQESA-N
MW263.26 g/mol
LogP0.73
Rot. Bonds6

About [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid

[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid (PubChem CID 118308786) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
PubChem CID118308786
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@@H](COCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O3/c17-11(18)12-9(10-13-15-16-14-10)7-19-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16)/t9-/m0/s1
InChIKeyJMJZCACTGVDCAQ-VIFPVBQESA-N
XLogP0.73
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]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

[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
2-amino-N-[(1S)-1-(1-benzyltetrazol-5-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;tert-butyl N-[(1S)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamate;hydrochloride
CID 158405906
benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate
CID 57463446
2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 70868647
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
(3-hydroxy-4-methyl-1-phenylmethoxyhex-5-en-2-yl)carbamic acid
CID 67134578
benzyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate
CID 23642671
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
CID 11447576
N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The IUPAC name of [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid (CID 118308786) is [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid is O=C(O)N[C@@H](COCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The InChIKey is JMJZCACTGVDCAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N5O3/c17-11(18)12-9(10-13-15-16-14-10)7-19-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16)/t9-/m0/s1.
What are the key properties of [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid has a molecular weight of 263.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 118308786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).