2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid

C16H24N2O3 — CID 65349861

IUPAC2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
SMILESCC(C)(CCN)CCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,8-9-17)7-6-14(19)18-13-5-3-4-12(10-13)11-15(20)21/h3-5,10H,6-9,11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRRAGZGOIJFTPT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds8

About 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid

2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid (PubChem CID 65349861) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
PubChem CID65349861
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
SMILESCC(C)(CCN)CCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,8-9-17)7-6-14(19)18-13-5-3-4-12(10-13)11-15(20)21/h3-5,10H,6-9,11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRRAGZGOIJFTPT-UHFFFAOYSA-N
XLogP2.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
2-[3-[(6-amino-4-methylhexanoyl)amino]phenyl]acetic acid
CID 65350517
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
CID 65290383
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351665
2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
CID 65346637
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 119343965
2-[3-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119352064

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid (CID 65349861) is 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid is CC(C)(CCN)CCC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid?
The InChIKey is PRRAGZGOIJFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,8-9-17)7-6-14(19)18-13-5-3-4-12(10-13)11-15(20)21/h3-5,10H,6-9,11,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid?
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65349861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).