4-(2-methylbutylamino)-5-phenylpentanoic acid

C16H25NO2 — CID 122045900

IUPAC4-(2-methylbutylamino)-5-phenylpentanoic acid
SMILESCCC(C)CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-13(2)12-17-15(9-10-16(18)19)11-14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyUCVYQRSPVAGGCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds9

About 4-(2-methylbutylamino)-5-phenylpentanoic acid

4-(2-methylbutylamino)-5-phenylpentanoic acid (PubChem CID 122045900) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(2-methylbutylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(2-methylbutylamino)-5-phenylpentanoic acid
PubChem CID122045900
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(2-methylbutylamino)-5-phenylpentanoic acid
SMILESCCC(C)CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-13(2)12-17-15(9-10-16(18)19)11-14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyUCVYQRSPVAGGCG-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122045940
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(2-methylbutylamino)-5-phenylpentanoic acid (CID 122045900) is 4-(2-methylbutylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(2-methylbutylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(2-methylbutylamino)-5-phenylpentanoic acid is CCC(C)CNC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-(2-methylbutylamino)-5-phenylpentanoic acid?
The InChIKey is UCVYQRSPVAGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-13(2)12-17-15(9-10-16(18)19)11-14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-methylbutylamino)-5-phenylpentanoic acid?
4-(2-methylbutylamino)-5-phenylpentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122045900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).