(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide

C14H26N2O2 — CID 125439624

IUPAC(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(CO)CCCC1)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12(16-8-4-5-9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeySCIBNJLZVFLQKD-LBPRGKRZSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds5

About (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide

(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 125439624) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID125439624
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(CO)CCCC1)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12(16-8-4-5-9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeySCIBNJLZVFLQKD-LBPRGKRZSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 112699726
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide (CID 125439624) is (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide is C[C@@H](C(=O)NCC1(CO)CCCC1)N1CCCC1.
What is the InChIKey of (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is SCIBNJLZVFLQKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(16-8-4-5-9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide?
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125439624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).