tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate

C16H23N3O3 — CID 110874414

IUPACtert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-13-9-10-19(11-13)14(20)17-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLAMKDAVQFIFVGP-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate (PubChem CID 110874414) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
PubChem CID110874414
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-13-9-10-19(11-13)14(20)17-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLAMKDAVQFIFVGP-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[N-(2-anilino-2-oxoethyl)-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730063
tert-butyl N-[(3R)-1-[(4-iodophenyl)carbamoyl]piperidin-3-yl]carbamate
CID 165429722
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425
tert-butyl N-[1-[N'-(2-anilino-2-oxoethyl)-N-ethylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729721
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 76614972
tert-butyl N-[(3R)-1-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 86593410
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylic acid
CID 129278997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate (CID 110874414) is tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is LAMKDAVQFIFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-13-9-10-19(11-13)14(20)17-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 110874414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).