3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid

C14H22N2O3 — CID 114154454

IUPAC3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)NCCC1=CCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)9-12(11-5-6-11)16-14(19)15-8-7-10-3-1-2-4-10/h3,11-12H,1-2,4-9H2,(H,17,18)(H2,15,16,19)
InChIKeyNKWISBFXDRVAPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds7

About 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid

3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid (PubChem CID 114154454) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid
PubChem CID114154454
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(NC(=O)NCCC1=CCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)9-12(11-5-6-11)16-14(19)15-8-7-10-3-1-2-4-10/h3,11-12H,1-2,4-9H2,(H,17,18)(H2,15,16,19)
InChIKeyNKWISBFXDRVAPZ-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 114154444
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]-5-methylhexanoic acid
CID 106178353
(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
CID 114154430
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
(2R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 114009597
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
CID 106178497
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid (CID 114154454) is 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid is O=C(O)CC(NC(=O)NCCC1=CCCC1)C1CC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid?
The InChIKey is NKWISBFXDRVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(18)9-12(11-5-6-11)16-14(19)15-8-7-10-3-1-2-4-10/h3,11-12H,1-2,4-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid?
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 114154454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).