2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide

C13H26N2O2 — CID 66260630

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)14-13(17)10(3)15-8-6-7-12(15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t10?,12-/m0/s1
InChIKeySPBBEHIHGRZPJU-KFJBMODSSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds6

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 66260630) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID66260630
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)14-13(17)10(3)15-8-6-7-12(15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t10?,12-/m0/s1
InChIKeySPBBEHIHGRZPJU-KFJBMODSSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 113321919
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63853461
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide (CID 66260630) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is SPBBEHIHGRZPJU-KFJBMODSSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(5-2)14-13(17)10(3)15-8-6-7-12(15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17)/t10?,12-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 66260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).