2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid

C11H12ClNO2 — CID 43754566

IUPAC2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
SMILESO=C(O)C(NC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c12-8-3-1-2-7(6-8)10(11(14)15)13-9-4-5-9/h1-3,6,9-10,13H,4-5H2,(H,14,15)
InChIKeyRFATVEOHWCWZKZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid

2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid (PubChem CID 43754566) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
PubChem CID43754566
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
SMILESO=C(O)C(NC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c12-8-3-1-2-7(6-8)10(11(14)15)13-9-4-5-9/h1-3,6,9-10,13H,4-5H2,(H,14,15)
InChIKeyRFATVEOHWCWZKZ-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
CID 114453628
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid (CID 43754566) is 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid is O=C(O)C(NC1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid?
The InChIKey is RFATVEOHWCWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-3-1-2-7(6-8)10(11(14)15)13-9-4-5-9/h1-3,6,9-10,13H,4-5H2,(H,14,15).
What are the key properties of 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid?
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid has a molecular weight of 225.68 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid is sourced from PubChem (CID 43754566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).