2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid

C16H19NO5 — CID 120686703

IUPAC2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)CCC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H19NO5/c1-22-12-6-4-10(5-7-12)13(18)8-9-14(19)17-15(16(20)21)11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQKAWNHVLMDYEEO-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.64
Rot. Bonds8

About 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid

2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid (PubChem CID 120686703) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
PubChem CID120686703
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)CCC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H19NO5/c1-22-12-6-4-10(5-7-12)13(18)8-9-14(19)17-15(16(20)21)11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQKAWNHVLMDYEEO-UHFFFAOYSA-N
XLogP1.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
CID 62696487
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid (CID 120686703) is 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid is COc1ccc(C(=O)CCC(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid?
The InChIKey is QKAWNHVLMDYEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-22-12-6-4-10(5-7-12)13(18)8-9-14(19)17-15(16(20)21)11-2-3-11/h4-7,11,15H,2-3,8-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 120686703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).