benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid

C13H17N5O3 — CID 66716601

IUPACbenzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid
SMILESC[C@@H]([C@H](O)c1nnn(C)n1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9(11(19)12-14-16-17(2)15-12)18(13(20)21)8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1
InChIKeyVIUHXQOVYMZWKW-ONGXEEELSA-N
MW291.31 g/mol
LogP0.81
Rot. Bonds5

About benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid

benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid (PubChem CID 66716601) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid
PubChem CID66716601
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Namebenzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid
SMILESC[C@@H]([C@H](O)c1nnn(C)n1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9(11(19)12-14-16-17(2)15-12)18(13(20)21)8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1
InChIKeyVIUHXQOVYMZWKW-ONGXEEELSA-N
XLogP0.81
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid
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benzyl(butan-2-yl)carbamic acid
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1-benzyl-3-diazo-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
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benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10883306
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid (CID 66716601) is benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid is C[C@@H]([C@H](O)c1nnn(C)n1)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid?
The InChIKey is VIUHXQOVYMZWKW-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9(11(19)12-14-16-17(2)15-12)18(13(20)21)8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1.
What are the key properties of benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid?
benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid has a molecular weight of 291.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 66716601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).