2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid

C12H14ClNO2 — CID 61002560

IUPAC2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)14-7-8-5-6-8/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyIEMGCMCWUSAKKD-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.47
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid

2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid (PubChem CID 61002560) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
PubChem CID61002560
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)14-7-8-5-6-8/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyIEMGCMCWUSAKKD-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54895164
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
CID 107314914
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid (CID 61002560) is 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid is O=C(O)C(NCC1CC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid?
The InChIKey is IEMGCMCWUSAKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11(12(15)16)14-7-8-5-6-8/h1-4,8,11,14H,5-7H2,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid?
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid has a molecular weight of 239.70 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid is sourced from PubChem (CID 61002560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).