(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid

C14H24N2O3 — CID 114154430

IUPAC(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCCC1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-3-8-12(13(17)18)16-14(19)15-10-9-11-6-4-5-7-11/h6,12H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyDLTDVRHIZBHFLX-LBPRGKRZSA-N
MW268.36 g/mol
LogP2.43
Rot. Bonds8

About (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid

(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid (PubChem CID 114154430) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
PubChem CID114154430
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCCC1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-2-3-8-12(13(17)18)16-14(19)15-10-9-11-6-4-5-7-11/h6,12H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyDLTDVRHIZBHFLX-LBPRGKRZSA-N
XLogP2.43
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 ≤ 52.43
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

(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]hexanoic acid
CID 107856061
(2R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 114009597
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
(2S)-5-amino-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 103994434
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-[3-(cyclopropylamino)propylcarbamoylamino]hexanoic acid
CID 61404756
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid (CID 114154430) is (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)NCCC1=CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is DLTDVRHIZBHFLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-8-12(13(17)18)16-14(19)15-10-9-11-6-4-5-7-11/h6,12H,2-5,7-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid?
(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 114154430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).