2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid

C14H14F3NO3 — CID 43655198

IUPAC2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-5-3-10(4-6-11)13(21)18(8-12(19)20)7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,19,20)
InChIKeyWDCXTMUIKANRTI-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.64
Rot. Bonds5

About 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid

2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid (PubChem CID 43655198) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
PubChem CID43655198
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-5-3-10(4-6-11)13(21)18(8-12(19)20)7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,19,20)
InChIKeyWDCXTMUIKANRTI-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hippuric Acid
CID 464
N-benzoylglycinate
CID 4402710
N-(2-Iodobenzoyl)glycine
CID 8614
N-benzoyl-N-methylglycine
CID 75728
p-Methylhippuric Acid
CID 97479
Glycine, N-(3-iodobenzoyl)-
CID 40341
((3-(Trifluoromethyl)benzoyl)amino)acetic acid
CID 2777432
(2-Fluoro-benzoylamino)-acetic acid
CID 679228
1-[4-(Trifluoromethyl)benzoyl]piperidine
CID 620616
p-Iodohippuric acid
CID 41575
N,N'-(1,4-phenylenedicarbonyl)diglycine
CID 89759
2-((4-(Trifluoromethyl)phenyl)formamido)acetic acid
CID 2305084

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid (CID 43655198) is 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid?
The InChIKey is WDCXTMUIKANRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)11-5-3-10(4-6-11)13(21)18(8-12(19)20)7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid?
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid has a molecular weight of 301.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 43655198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).