4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid

C19H29NO2 — CID 120511977

IUPAC4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
SMILESCC1CCCCC1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-15-7-5-6-10-17(15)14-20-18(11-12-19(21)22)13-16-8-3-2-4-9-16/h2-4,8-9,15,17-18,20H,5-7,10-14H2,1H3,(H,21,22)
InChIKeyWYGJBYJSCFKNBZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.88
Rot. Bonds8

About 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid

4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511977) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511977
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
SMILESCC1CCCCC1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-15-7-5-6-10-17(15)14-20-18(11-12-19(21)22)13-16-8-3-2-4-9-16/h2-4,8-9,15,17-18,20H,5-7,10-14H2,1H3,(H,21,22)
InChIKeyWYGJBYJSCFKNBZ-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid (CID 120511977) is 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid is CC1CCCCC1CNC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is WYGJBYJSCFKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15-7-5-6-10-17(15)14-20-18(11-12-19(21)22)13-16-8-3-2-4-9-16/h2-4,8-9,15,17-18,20H,5-7,10-14H2,1H3,(H,21,22).
What are the key properties of 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid?
4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 303.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).