2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid

C12H14ClNO2 — CID 103256046

IUPAC2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
SMILESCc1cccc(Cl)c1NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyRPBWOTBOKPDGLC-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid

2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid (PubChem CID 103256046) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
PubChem CID103256046
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
SMILESCc1cccc(Cl)c1NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyRPBWOTBOKPDGLC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
CID 103266614
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62709327
2-(2-chloro-6-methylanilino)propanamide
CID 66252713
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
(2S)-2-[[5-chloro-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-methylbenzoyl]amino]-2-cyclohexylacetic acid
CID 143228991
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid (CID 103256046) is 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid is Cc1cccc(Cl)c1NC(C(=O)O)C1CC1.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid?
The InChIKey is RPBWOTBOKPDGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid?
2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid has a molecular weight of 239.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid is sourced from PubChem (CID 103256046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).