benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate

C14H19NO3 — CID 59178384

IUPACbenzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO3/c1-17-10-13(12-7-8-12)15-14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyQPCPCBDBQPZSDL-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.34
Rot. Bonds6

About benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate

benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate (PubChem CID 59178384) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
PubChem CID59178384
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO3/c1-17-10-13(12-7-8-12)15-14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyQPCPCBDBQPZSDL-CYBMUJFWSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 93481085
(3S)-3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 93481104
3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 22309390
3-(4-tert-butylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104575616
methyl 3,3-dicyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 168869008
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
CID 66684480
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
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3-(5-methyloxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103873100

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate (CID 59178384) is benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate is COC[C@@H](NC(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate?
The InChIKey is QPCPCBDBQPZSDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-10-13(12-7-8-12)15-14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate?
benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate is sourced from PubChem (CID 59178384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).