2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid

C17H23NO4 — CID 119213176

IUPAC2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
SMILESCC(C)COc1ccc(CC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C17H23NO4/c1-11(2)10-22-14-7-3-12(4-8-14)9-15(19)18-16(17(20)21)13-5-6-13/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPXJDSGRGNKEFKK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.24
Rot. Bonds8

About 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid (PubChem CID 119213176) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
PubChem CID119213176
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
SMILESCC(C)COc1ccc(CC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C17H23NO4/c1-11(2)10-22-14-7-3-12(4-8-14)9-15(19)18-16(17(20)21)13-5-6-13/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPXJDSGRGNKEFKK-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111661167
ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
CID 142534707

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid (CID 119213176) is 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid is CC(C)COc1ccc(CC(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid?
The InChIKey is PXJDSGRGNKEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)10-22-14-7-3-12(4-8-14)9-15(19)18-16(17(20)21)13-5-6-13/h3-4,7-8,11,13,16H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119213176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).