benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate

C14H19N5O2 — CID 57463446

IUPACbenzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate
SMILESCC(C)(C)[C@H](NC(=O)OCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)11(12-16-18-19-17-12)15-13(20)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,20)(H,16,17,18,19)/t11-/m1/s1
InChIKeyPSDBKRIXCMNUEE-LLVKDONJSA-N
MW289.34 g/mol
LogP2.21
Rot. Bonds4

About benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate

benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate (PubChem CID 57463446) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate
PubChem CID57463446
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Namebenzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate
SMILESCC(C)(C)[C@H](NC(=O)OCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)11(12-16-18-19-17-12)15-13(20)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,20)(H,16,17,18,19)/t11-/m1/s1
InChIKeyPSDBKRIXCMNUEE-LLVKDONJSA-N
XLogP2.21
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2,2-dimethyl-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 124868117
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
benzyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate
CID 23642671
benzyl N-(4,4-dimethyl-3-oxo-1-phenylpentan-2-yl)carbamate
CID 59862824
(2S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 87673023
(2S,3S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 70070486
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-1-(benzhydrylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 18667067
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate (CID 57463446) is benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate is CC(C)(C)[C@H](NC(=O)OCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate?
The InChIKey is PSDBKRIXCMNUEE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)11(12-16-18-19-17-12)15-13(20)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,20)(H,16,17,18,19)/t11-/m1/s1.
What are the key properties of benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate?
benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate is sourced from PubChem (CID 57463446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).