2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid

C14H15F2NO5 — CID 146136334

IUPAC2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CC[C@H](OC(F)F)C2)c1
InChIInChI=1S/C14H15F2NO5/c15-14(16)22-11-4-5-17(7-11)13(20)9-2-1-3-10(6-9)21-8-12(18)19/h1-3,6,11,14H,4-5,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyALOCAVZSMLTLKX-NSHDSACASA-N
MW315.27 g/mol
LogP1.60
Rot. Bonds6

About 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 146136334) has the molecular formula C14H15F2NO5 and a molecular weight of 315.27 g/mol. Its IUPAC name is 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID146136334
Molecular FormulaC14H15F2NO5
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CC[C@H](OC(F)F)C2)c1
InChIInChI=1S/C14H15F2NO5/c15-14(16)22-11-4-5-17(7-11)13(20)9-2-1-3-10(6-9)21-8-12(18)19/h1-3,6,11,14H,4-5,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyALOCAVZSMLTLKX-NSHDSACASA-N
XLogP1.60
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167
2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
CID 119184539
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
CID 138032586
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 146136334) is 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CC[C@H](OC(F)F)C2)c1.
What is the InChIKey of 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is ALOCAVZSMLTLKX-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F2NO5/c15-14(16)22-11-4-5-17(7-11)13(20)9-2-1-3-10(6-9)21-8-12(18)19/h1-3,6,11,14H,4-5,7-8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 315.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 146136334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).