2-[(4-pentylcyclohexyl)amino]propanoic acid

C14H27NO2 — CID 174627181

IUPAC2-[(4-pentylcyclohexyl)amino]propanoic acid
SMILESCCCCCC1CCC(NC(C)C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-12-7-9-13(10-8-12)15-11(2)14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyBDNBVAZUQLMXQZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds7

About 2-[(4-pentylcyclohexyl)amino]propanoic acid

2-[(4-pentylcyclohexyl)amino]propanoic acid (PubChem CID 174627181) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(4-pentylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-pentylcyclohexyl)amino]propanoic acid
PubChem CID174627181
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(4-pentylcyclohexyl)amino]propanoic acid
SMILESCCCCCC1CCC(NC(C)C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-12-7-9-13(10-8-12)15-11(2)14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyBDNBVAZUQLMXQZ-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
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

2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
2-chloro-2-(4-pentylcyclohexyl)acetic acid
CID 57228925
(2S)-2-(cyclohexylamino)propanoic acid;2-(hexylamino)acetic acid
CID 159723449
3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
CID 22422561
hexane;pentylcyclopropane
CID 159592467
2-(cyclopropylamino)heptanoic acid
CID 43754511
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 69297250
1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide
CID 160809343
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-[(4-pentylcyclohexyl)amino]propanoic acid (CID 174627181) is 2-[(4-pentylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-pentylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-pentylcyclohexyl)amino]propanoic acid is CCCCCC1CCC(NC(C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-pentylcyclohexyl)amino]propanoic acid?
The InChIKey is BDNBVAZUQLMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-12-7-9-13(10-8-12)15-11(2)14(16)17/h11-13,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-pentylcyclohexyl)amino]propanoic acid?
2-[(4-pentylcyclohexyl)amino]propanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 174627181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).