2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid

C18H25NO3 — CID 120521927

IUPAC2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid
SMILESCC(CCCc1ccccc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C18H25NO3/c1-14(7-5-10-15-8-3-2-4-9-15)17(22)19-18(11-6-12-18)13-16(20)21/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyBENUEFCBKUDNSE-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.16
Rot. Bonds8

About 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid (PubChem CID 120521927) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid
PubChem CID120521927
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid
SMILESCC(CCCc1ccccc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C18H25NO3/c1-14(7-5-10-15-8-3-2-4-9-15)17(22)19-18(11-6-12-18)13-16(20)21/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyBENUEFCBKUDNSE-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217192
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
3-methyl-6-phenylhexan-2-one
CID 59396975
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-methyl-4-phenylbutanoic acid
CID 66896591
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
4-methoxy-3-methyl-3-[(2-methyl-5-phenylpentanoyl)amino]butanoic acid
CID 120532197
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid (CID 120521927) is 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid is CC(CCCc1ccccc1)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid?
The InChIKey is BENUEFCBKUDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(7-5-10-15-8-3-2-4-9-15)17(22)19-18(11-6-12-18)13-16(20)21/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120521927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).