N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide

C11H22N2O2 — CID 43593968

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C11H22N2O2/c1-4-5-8(2)11(14)13-9-6-12-7-10(9)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyQKKSOWHZTAGEJW-RTBKNWGFSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds5

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide (PubChem CID 43593968) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide
PubChem CID43593968
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C11H22N2O2/c1-4-5-8(2)11(14)13-9-6-12-7-10(9)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyQKKSOWHZTAGEJW-RTBKNWGFSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
CID 136575935
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
CID 43593952
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 99852420
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide (CID 43593968) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide is CCCC(C)C(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide?
The InChIKey is QKKSOWHZTAGEJW-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-8(2)11(14)13-9-6-12-7-10(9)15-3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpentanamide is sourced from PubChem (CID 43593968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).