2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid

C15H21NO3 — CID 60830764

IUPAC2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)CCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)4-9-14(17)16(10-15(18)19)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyFGCOGGIEEIPBDM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid

2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid (PubChem CID 60830764) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
PubChem CID60830764
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)CCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)4-9-14(17)16(10-15(18)19)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyFGCOGGIEEIPBDM-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(5-aminohexanoyl)-4-methylanilino]acetic acid
CID 82852404
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
2-[N-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-4-methylanilino]acetic acid
CID 60832296
2-[4-methyl-N-(5-methylhexan-2-yl)anilino]acetic acid
CID 65059313
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
CID 161236037
2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
CID 82011215
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-[4-methyl-N-[3-(triazol-1-yl)propanoyl]anilino]acetic acid
CID 60832122
3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
3-[4-methyl-N-[3-(propan-2-ylamino)propanoyl]anilino]propanoic acid
CID 61159717

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid (CID 60830764) is 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid is Cc1ccc(N(CC(=O)O)C(=O)CCC(C)C)cc1.
What is the InChIKey of 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid?
The InChIKey is FGCOGGIEEIPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)4-9-14(17)16(10-15(18)19)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid?
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid is sourced from PubChem (CID 60830764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).