2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid

C15H18ClNO3 — CID 120517344

IUPAC2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
SMILESCC1(C)CC1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-15(2)7-12(15)14(20)17(9-13(18)19)8-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyMJISTBAJHJURBW-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.80
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid

2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 120517344) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
PubChem CID120517344
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
SMILESCC1(C)CC1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-15(2)7-12(15)14(20)17(9-13(18)19)8-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyMJISTBAJHJURBW-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
CID 120686069
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[2-acetamidopropanoyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193678
N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107000215
2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
CID 119193590
2-[(2-butoxyacetyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid (CID 120517344) is 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid is CC1(C)CC1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is MJISTBAJHJURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(2)7-12(15)14(20)17(9-13(18)19)8-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 295.77 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 120517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).