2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid

C14H16FNO4 — CID 43655608

IUPAC2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)COc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-9-13(17)16(8-14(18)19)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyNFLQAVBYUDEIIQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.53
Rot. Bonds7

About 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid (PubChem CID 43655608) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
PubChem CID43655608
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)COc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-9-13(17)16(8-14(18)19)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyNFLQAVBYUDEIIQ-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053
2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
CID 43655320
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 43655474
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655334
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
CID 43655315
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
N-(cyclopropylmethyl)-N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 46011786
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid (CID 43655608) is 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid?
The InChIKey is NFLQAVBYUDEIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-9-13(17)16(8-14(18)19)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid has a molecular weight of 281.28 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 43655608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).