N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide

C14H26N2O2 — CID 125446366

IUPACN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-10-12-6-8-16(11-12)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyLDYNAZJVZKUHCT-LBPRGKRZSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide (PubChem CID 125446366) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
PubChem CID125446366
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-10-12-6-8-16(11-12)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyLDYNAZJVZKUHCT-LBPRGKRZSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide (CID 125446366) is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide is COCCC(=O)NC[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide?
The InChIKey is LDYNAZJVZKUHCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-10-12-6-8-16(11-12)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide?
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 125446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).