4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid

C14H27NO2 — CID 82934135

IUPAC4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC1CCCC1)CCC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)12(7-8-14(16)17)9-10-15-13-5-3-4-6-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyVXNXFTQCNUTXJA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds8

About 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid

4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid (PubChem CID 82934135) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid
PubChem CID82934135
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC1CCCC1)CCC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)12(7-8-14(16)17)9-10-15-13-5-3-4-6-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyVXNXFTQCNUTXJA-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
4-(cycloheptylamino)butanoic acid
CID 43377987
5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
CID 79680349
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
CID 65289656
N-(3-chlorobutyl)cyclopentanamine
CID 82936490
5-cyclohexyl-4-methylhexanoic acid
CID 174468115
4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
(3S)-3-propan-2-ylhexanedioic acid
CID 71391350

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid (CID 82934135) is 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid is CC(C)C(CCNC1CCCC1)CCC(=O)O.
What is the InChIKey of 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid?
The InChIKey is VXNXFTQCNUTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)12(7-8-14(16)17)9-10-15-13-5-3-4-6-13/h11-13,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid?
4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 82934135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).