2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid

C15H28N2O4 — CID 106005297

IUPAC2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCCCC1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-21-11-5-9-13(14(18)19)17-15(20)16-10-4-8-12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCQJRTIVLKWOLNI-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds10

About 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid

2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid (PubChem CID 106005297) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
PubChem CID106005297
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCCCC1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-21-11-5-9-13(14(18)19)17-15(20)16-10-4-8-12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCQJRTIVLKWOLNI-UHFFFAOYSA-N
XLogP2.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid (CID 106005297) is 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)NCCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid?
The InChIKey is CQJRTIVLKWOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-21-11-5-9-13(14(18)19)17-15(20)16-10-4-8-12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid?
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.14, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 106005297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).