2-[(2,5-difluorophenyl)methylamino]acetic acid

C9H9F2NO2 — CID 43312806

IUPAC2-[(2,5-difluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c10-7-1-2-8(11)6(3-7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyYHMCPNHOZZQXSN-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.14
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methylamino]acetic acid

2-[(2,5-difluorophenyl)methylamino]acetic acid (PubChem CID 43312806) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylamino]acetic acid
PubChem CID43312806
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-[(2,5-difluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c10-7-1-2-8(11)6(3-7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyYHMCPNHOZZQXSN-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)acetic acid
CID 86965
N-Benzylaminodiacetic acid
CID 77606
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
2-(Dibenzylamino)acetic acid
CID 174082
N-Benzyl-beta-alanine
CID 225173
N-Benzylglycine Hydrochloride
CID 2756624
N-Benzylglycine ethyl ester
CID 80908
(S)2-Benzylamino-3-mercapto-propionic acid
CID 11052950
2-Benzylamino-3-mercapto-propionic acid
CID 15366953
2-(Phenethylamino)acetic acid
CID 242245
(2S)-2-(benzylamino)-3-hydroxypropanoic acid
CID 853606
2-[(2,6-Difluorophenyl)formamido]acetic acid
CID 2797381

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)methylamino]acetic acid (CID 43312806) is 2-[(2,5-difluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylamino]acetic acid is O=C(O)CNCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylamino]acetic acid?
The InChIKey is YHMCPNHOZZQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-7-1-2-8(11)6(3-7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 2-[(2,5-difluorophenyl)methylamino]acetic acid?
2-[(2,5-difluorophenyl)methylamino]acetic acid has a molecular weight of 201.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 43312806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).