2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid

C13H16ClNO2 — CID 61002092

IUPAC2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-13(12(16)17,15-8-9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)
InChIKeyCBHYUWJAPDHUJM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid

2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid (PubChem CID 61002092) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
PubChem CID61002092
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-13(12(16)17,15-8-9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)
InChIKeyCBHYUWJAPDHUJM-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
methyl 2-(cyclopropylmethylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 61002805
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid (CID 61002092) is 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid is CC(NCC1CC1)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid?
The InChIKey is CBHYUWJAPDHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-13(12(16)17,15-8-9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid?
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid has a molecular weight of 253.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid is sourced from PubChem (CID 61002092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).