4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid

C16H27NO4 — CID 119239386

IUPAC4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
SMILESCCCC(CC1CCCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H27NO4/c1-2-5-13(10-12-6-3-4-7-12)15(18)17-8-9-21-14(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyHDVVVVNDQGRTJM-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.30
Rot. Bonds6

About 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid

4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid (PubChem CID 119239386) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
PubChem CID119239386
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
SMILESCCCC(CC1CCCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H27NO4/c1-2-5-13(10-12-6-3-4-7-12)15(18)17-8-9-21-14(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyHDVVVVNDQGRTJM-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119716
4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 170367679
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid (CID 119239386) is 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid is CCCC(CC1CCCC1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid?
The InChIKey is HDVVVVNDQGRTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-5-13(10-12-6-3-4-7-12)15(18)17-8-9-21-14(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid?
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).