2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid

C15H19NO4 — CID 60826379

IUPAC2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10-3-6-13(20-2)11(7-10)8-14(17)16(9-15(18)19)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyUXSXRWUPQQSEPO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds6

About 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid (PubChem CID 60826379) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
PubChem CID60826379
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10-3-6-13(20-2)11(7-10)8-14(17)16(9-15(18)19)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,19)
InChIKeyUXSXRWUPQQSEPO-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 60826703
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041512
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid (CID 60826379) is 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid is COc1ccc(C)cc1CC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The InChIKey is UXSXRWUPQQSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-6-13(20-2)11(7-10)8-14(17)16(9-15(18)19)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 60826379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).