2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid

C16H21NO3 — CID 120686696

IUPAC2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
SMILESCc1ccc(CC(C)C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-10-3-5-12(6-4-10)9-11(2)15(18)17-14(16(19)20)13-7-8-13/h3-6,11,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHPFAGENDCSGASH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds6

About 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid

2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid (PubChem CID 120686696) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
PubChem CID120686696
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
SMILESCc1ccc(CC(C)C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-10-3-5-12(6-4-10)9-11(2)15(18)17-14(16(19)20)13-7-8-13/h3-6,11,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHPFAGENDCSGASH-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 120689540
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
CID 91596177
3-cyclopropyl-4-(4-methylphenyl)butanoic acid
CID 82079304
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid (CID 120686696) is 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid is Cc1ccc(CC(C)C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid?
The InChIKey is HPFAGENDCSGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-3-5-12(6-4-10)9-11(2)15(18)17-14(16(19)20)13-7-8-13/h3-6,11,13-14H,7-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid?
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 120686696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).