5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid

C14H24N2O3 — CID 106178518

IUPAC5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)NCCC1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-11(13(17)18)5-4-9-15-14(19)16-10-8-12-6-2-3-7-12/h6,11H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFKRRXWBPSQUSLK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.29
Rot. Bonds8

About 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid

5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid (PubChem CID 106178518) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
PubChem CID106178518
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)NCCC1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-11(13(17)18)5-4-9-15-14(19)16-10-8-12-6-2-3-7-12/h6,11H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFKRRXWBPSQUSLK-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
CID 114154430
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]hexanoic acid
CID 107856061
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
CID 106178247
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
(2R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 114009597
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]-5-methylhexanoic acid
CID 106178353
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid (CID 106178518) is 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid is CC(CCCNC(=O)NCCC1=CCCC1)C(=O)O.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid?
The InChIKey is FKRRXWBPSQUSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(13(17)18)5-4-9-15-14(19)16-10-8-12-6-2-3-7-12/h6,11H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid?
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 106178518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).