2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid

C14H17F2NO2 — CID 106490075

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
SMILESNCC(Cc1ccc(F)cc1F)(CC1CC1)C(=O)O
InChIInChI=1S/C14H17F2NO2/c15-11-4-3-10(12(16)5-11)7-14(8-17,13(18)19)6-9-1-2-9/h3-5,9H,1-2,6-8,17H2,(H,18,19)
InChIKeyAGJCQAGMUPFZLX-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.34
Rot. Bonds6

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid (PubChem CID 106490075) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
PubChem CID106490075
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
SMILESNCC(Cc1ccc(F)cc1F)(CC1CC1)C(=O)O
InChIInChI=1S/C14H17F2NO2/c15-11-4-3-10(12(16)5-11)7-14(8-17,13(18)19)6-9-1-2-9/h3-5,9H,1-2,6-8,17H2,(H,18,19)
InChIKeyAGJCQAGMUPFZLX-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199
3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838253
ethyl 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]pentanoate
CID 106488224
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067070
2-[(2,4-difluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899612
3-(2,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 171703048
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid (CID 106490075) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid is NCC(Cc1ccc(F)cc1F)(CC1CC1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid?
The InChIKey is AGJCQAGMUPFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-11-4-3-10(12(16)5-11)7-14(8-17,13(18)19)6-9-1-2-9/h3-5,9H,1-2,6-8,17H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid has a molecular weight of 269.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 106490075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).