benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate

C13H17N3O3 — CID 130774692

IUPACbenzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
SMILESNC(=O)N1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H17N3O3/c14-12(17)16-7-6-11(8-16)15-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,17)(H,15,18)
InChIKeyVPANWAYKXNUFGU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.07
Rot. Bonds3

About benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate

benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate (PubChem CID 130774692) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
PubChem CID130774692
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namebenzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
SMILESNC(=O)N1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H17N3O3/c14-12(17)16-7-6-11(8-16)15-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,17)(H,15,18)
InChIKeyVPANWAYKXNUFGU-UHFFFAOYSA-N
XLogP1.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 99936099
benzyl N-[(3R)-1-(2-fluoro-5-methoxybenzoyl)pyrrolidin-3-yl]carbamate
CID 122448838
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate (CID 130774692) is benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate is NC(=O)N1CCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate?
The InChIKey is VPANWAYKXNUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)16-7-6-11(8-16)15-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,14,17)(H,15,18).
What are the key properties of benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate?
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 130774692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).