2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid

C12H14FNO2 — CID 61002227

IUPAC2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(12(15)16)14-7-8-1-2-8/h3-6,8,11,14H,1-2,7H2,(H,15,16)
InChIKeyKXMRDINTDSMCNA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.95
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid

2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid (PubChem CID 61002227) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
PubChem CID61002227
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(12(15)16)14-7-8-1-2-8/h3-6,8,11,14H,1-2,7H2,(H,15,16)
InChIKeyKXMRDINTDSMCNA-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
CID 61002802
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
2-(4-fluorophenyl)-2-hydrazinylacetic acid
CID 82125359
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid (CID 61002227) is 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid is O=C(O)C(NCC1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid?
The InChIKey is KXMRDINTDSMCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(12(15)16)14-7-8-1-2-8/h3-6,8,11,14H,1-2,7H2,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid?
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid has a molecular weight of 223.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 61002227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).