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

C12H14ClNO2 — CID 43754458

IUPAC2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
SMILESCC(NC1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16,14-10-6-7-10)8-2-4-9(13)5-3-8/h2-5,10,14H,6-7H2,1H3,(H,15,16)
InChIKeyZXVAEFBVFMEYBQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.39
Rot. Bonds4

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

2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid (PubChem CID 43754458) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
PubChem CID43754458
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
SMILESCC(NC1CC1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16,14-10-6-7-10)8-2-4-9(13)5-3-8/h2-5,10,14H,6-7H2,1H3,(H,15,16)
InChIKeyZXVAEFBVFMEYBQ-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoic acid
CID 43754410
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
2-(4-tert-butylphenyl)-2-(cyclopropylamino)propanamide
CID 60795288
2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 61002706
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid (CID 43754458) is 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid is CC(NC1CC1)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid?
The InChIKey is ZXVAEFBVFMEYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(11(15)16,14-10-6-7-10)8-2-4-9(13)5-3-8/h2-5,10,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid?
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid has a molecular weight of 239.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid is sourced from PubChem (CID 43754458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).