benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate

C13H17N5O3 — CID 59135198

IUPACbenzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1nnn(C)n1
InChIInChI=1S/C13H17N5O3/c1-9(11(19)12-15-17-18(2)16-12)14-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,14,20)/t9-,11-/m0/s1
InChIKeyHJTDTXDOWPVWTK-ONGXEEELSA-N
MW291.31 g/mol
LogP0.56
Rot. Bonds5

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

benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate (PubChem CID 59135198) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate
PubChem CID59135198
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Namebenzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1nnn(C)n1
InChIInChI=1S/C13H17N5O3/c1-9(11(19)12-15-17-18(2)16-12)14-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,14,20)/t9-,11-/m0/s1
InChIKeyHJTDTXDOWPVWTK-ONGXEEELSA-N
XLogP0.56
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[(1R,2S)-1-hydroxy-1-pyridin-4-ylpropan-2-yl]carbamate
CID 86630532
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
3-[(2-methyltetrazol-5-yl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 107043239
benzyl N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 67105648
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
benzyl N-[1-(benzotriazol-2-yl)-3-methylbutyl]carbamate
CID 3517933
benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 123232862
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate (CID 59135198) is benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1nnn(C)n1.
What is the InChIKey of benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate?
The InChIKey is HJTDTXDOWPVWTK-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9(11(19)12-15-17-18(2)16-12)14-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,14,20)/t9-,11-/m0/s1.
What are the key properties of benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate?
benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate has a molecular weight of 291.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 59135198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).