6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid

C13H23NO3 — CID 81385721

IUPAC6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
SMILESC[C@@H](NC(=O)CCCCC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyRLOGCHZPGIVPRB-SNVBAGLBSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds7

About 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid

6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid (PubChem CID 81385721) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
PubChem CID81385721
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
SMILESC[C@@H](NC(=O)CCCCC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyRLOGCHZPGIVPRB-SNVBAGLBSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid (CID 81385721) is 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid is C[C@@H](NC(=O)CCCCC(=O)O)C1CCCC1.
What is the InChIKey of 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid?
The InChIKey is RLOGCHZPGIVPRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(11-6-2-3-7-11)14-12(15)8-4-5-9-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid?
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 81385721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).