5-(cyclohexylamino)-4-methylpentanoic acid

C12H23NO2 — CID 82933568

IUPAC5-(cyclohexylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(7-8-12(14)15)9-13-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyNIPDRDWDQMUMNG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 5-(cyclohexylamino)-4-methylpentanoic acid

5-(cyclohexylamino)-4-methylpentanoic acid (PubChem CID 82933568) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-methylpentanoic acid
PubChem CID82933568
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-(cyclohexylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(7-8-12(14)15)9-13-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyNIPDRDWDQMUMNG-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
N-(4-chloro-2-methylbutyl)cycloheptanamine
CID 82936912
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
CID 82689474
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
4-[2-(cyclopentylamino)ethyl]-5-methylhexanoic acid
CID 82934135
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
5-cyclohexyl-4-methylhexanoic acid
CID 174468115
3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
CID 82932880
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(cyclohexylamino)-4-methylpentanoic acid (CID 82933568) is 5-(cyclohexylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(cyclohexylamino)-4-methylpentanoic acid is CC(CCC(=O)O)CNC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-methylpentanoic acid?
The InChIKey is NIPDRDWDQMUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(7-8-12(14)15)9-13-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-(cyclohexylamino)-4-methylpentanoic acid?
5-(cyclohexylamino)-4-methylpentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82933568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).