2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid

C12H13Cl2NO2 — CID 54894927

IUPAC2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-3-8(5-10(9)14)11(12(16)17)15-6-7-1-2-7/h3-5,7,11,15H,1-2,6H2,(H,16,17)
InChIKeyNZXZPRNHKDYBQK-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.12
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid

2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid (PubChem CID 54894927) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
PubChem CID54894927
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-3-8(5-10(9)14)11(12(16)17)15-6-7-1-2-7/h3-5,7,11,15H,1-2,6H2,(H,16,17)
InChIKeyNZXZPRNHKDYBQK-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
3-[[carboxy-(3,4-dichlorophenyl)methyl]amino]propanoic acid
CID 84746998
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
CID 61002802
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid (CID 54894927) is 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid is O=C(O)C(NCC1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid?
The InChIKey is NZXZPRNHKDYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-4-3-8(5-10(9)14)11(12(16)17)15-6-7-1-2-7/h3-5,7,11,15H,1-2,6H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid?
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid has a molecular weight of 274.15 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid is sourced from PubChem (CID 54894927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).