[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium

C15H29N2O3+ — CID 87520099

IUPAC[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium
SMILESC[N+](C)(C)C(CCCNC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-17(2,3)13(15(19)20)10-7-11-16-14(18)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3,(H-,16,18,19,20)/p+1
InChIKeySLJNLPNCKFLMOI-UHFFFAOYSA-O
MW285.41 g/mol
LogP1.62
Rot. Bonds7

About [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium

[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium (PubChem CID 87520099) has the molecular formula C15H29N2O3+ and a molecular weight of 285.41 g/mol. Its IUPAC name is [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium.

Molecular Properties

Compound Name[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium
PubChem CID87520099
Molecular FormulaC15H29N2O3+
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium
SMILESC[N+](C)(C)C(CCCNC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-17(2,3)13(15(19)20)10-7-11-16-14(18)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3,(H-,16,18,19,20)/p+1
InChIKeySLJNLPNCKFLMOI-UHFFFAOYSA-O
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Stearoyl Leucine
CID 203427
Palmitoyl Isoleucine
CID 14993927
2-(Cyclohexylformamido)-3-methylbutanoic acid
CID 2958090
5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
2-[(4-Hexylcyclohexyl)formamido]-3-methylbutanoic acid
CID 15987950
N-Palmitoyl leucine
CID 14993928
(2S,3S)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 137635333
(2S)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-4-methylpentanoic acid
CID 137652766
N-Cyclohexanoylleucine
CID 129440
N-(cyclohexylcarbonyl)-D-alanine
CID 1538555
(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
(Cyclohexanecarbonyl)-L-leucine
CID 9992929

Frequently Asked Questions

What is the IUPAC name of [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium?
The IUPAC name of [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium (CID 87520099) is [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium.
What is the SMILES notation for [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium?
The canonical SMILES for [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium is C[N+](C)(C)C(CCCNC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium?
The InChIKey is SLJNLPNCKFLMOI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O3/c1-17(2,3)13(15(19)20)10-7-11-16-14(18)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3,(H-,16,18,19,20)/p+1.
What are the key properties of [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium?
[1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium has a molecular weight of 285.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium is sourced from PubChem (CID 87520099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).