(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid

C14H26N2O3 — CID 107565953

IUPAC(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-8-12(13(17)18)16-14(19)15-11-9-6-4-3-5-7-10-11/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyFIRBGXCBGJUXIG-GFCCVEGCSA-N
MW270.37 g/mol
LogP2.65
Rot. Bonds5

About (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid

(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid (PubChem CID 107565953) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
PubChem CID107565953
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-8-12(13(17)18)16-14(19)15-11-9-6-4-3-5-7-10-11/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyFIRBGXCBGJUXIG-GFCCVEGCSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
N-cycloheptyl-2-methylpentanamide
CID 4532030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid (CID 107565953) is (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NC1CCCCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid?
The InChIKey is FIRBGXCBGJUXIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-8-12(13(17)18)16-14(19)15-11-9-6-4-3-5-7-10-11/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid?
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclooctylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107565953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).