benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate

C17H24N2O3 — CID 66566520

IUPACbenzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)C1CCN(CCO)C1
InChIInChI=1S/C17H24N2O3/c20-11-10-18-9-8-16(12-18)19(15-6-7-15)17(21)22-13-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2
InChIKeyYFXVXJRMEUNTHG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.85
Rot. Bonds6

About benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate

benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate (PubChem CID 66566520) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
PubChem CID66566520
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)C1CCN(CCO)C1
InChIInChI=1S/C17H24N2O3/c20-11-10-18-9-8-16(12-18)19(15-6-7-15)17(21)22-13-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2
InChIKeyYFXVXJRMEUNTHG-UHFFFAOYSA-N
XLogP1.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 66566638
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 86222796
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
CID 66566982

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate (CID 66566520) is benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate is O=C(OCc1ccccc1)N(C1CC1)C1CCN(CCO)C1.
What is the InChIKey of benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is YFXVXJRMEUNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-11-10-18-9-8-16(12-18)19(15-6-7-15)17(21)22-13-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13H2.
What are the key properties of benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate?
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).