2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid

C10H17NO4 — CID 106120324

IUPAC2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(O)CCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(12)3-2-4-11-9(13)7-5-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyMCQVDIMHELDHEG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.02
Rot. Bonds6

About 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid

2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 106120324) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID106120324
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(O)CCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(12)3-2-4-11-9(13)7-5-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyMCQVDIMHELDHEG-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.02
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

cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60864450
trans-(1R,2R)-2-(4-methylsulfanylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99716413
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
CID 165351929
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
4-ethyl-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511517
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid (CID 106120324) is 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid is CC(O)CCCNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is MCQVDIMHELDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(12)3-2-4-11-9(13)7-5-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106120324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).