tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate

C15H28N2O3 — CID 140998051

IUPACtert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CN1CCC(=O)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)8-12(9-17-7-6-13(18)10-17)16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m0/s1
InChIKeyMYUXBXPMQCDYRF-LBPRGKRZSA-N
MW284.40 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate (PubChem CID 140998051) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate
PubChem CID140998051
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CN1CCC(=O)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)8-12(9-17-7-6-13(18)10-17)16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m0/s1
InChIKeyMYUXBXPMQCDYRF-LBPRGKRZSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
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tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
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tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
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tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
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tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
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tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
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tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate (CID 140998051) is tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate is CC(C)C[C@@H](CN1CCC(=O)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate?
The InChIKey is MYUXBXPMQCDYRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)8-12(9-17-7-6-13(18)10-17)16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methyl-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 140998051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).