benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate

C14H22N2O2 — CID 69087591

IUPACbenzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)N[C@H](C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-12(3)9-15-14(17)18-10-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyBUGRKKKDKRNTTF-GFCCVEGCSA-N
MW250.34 g/mol
LogP2.30
Rot. Bonds6

About benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate

benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate (PubChem CID 69087591) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
PubChem CID69087591
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namebenzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)N[C@H](C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-12(3)9-15-14(17)18-10-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyBUGRKKKDKRNTTF-GFCCVEGCSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
CID 167763104
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
[(2R)-1-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate
CID 141014757
(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 67806638
benzyl N-[(2S)-2-methyl-3-(methylamino)-3-sulfanylidenepropyl]carbamate
CID 118167903

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate (CID 69087591) is benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate is CC(C)N[C@H](C)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate?
The InChIKey is BUGRKKKDKRNTTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-12(3)9-15-14(17)18-10-13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate?
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 69087591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).