2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid

C16H18ClNO3 — CID 63701902

IUPAC2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H18ClNO3/c1-10(19)18(14-8-9-14)16(15(20)21,11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyDLBJXZBMONMEFF-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.04
Rot. Bonds5

About 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid

2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid (PubChem CID 63701902) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid
PubChem CID63701902
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H18ClNO3/c1-10(19)18(14-8-9-14)16(15(20)21,11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyDLBJXZBMONMEFF-UHFFFAOYSA-N
XLogP3.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
CID 63703192
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid
CID 63705044
3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62396854
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
CID 4081892
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid (CID 63701902) is 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid is CC(=O)N(C1CC1)C(C(=O)O)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid?
The InChIKey is DLBJXZBMONMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(19)18(14-8-9-14)16(15(20)21,11-2-3-11)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid?
2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid has a molecular weight of 307.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 63701902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).