2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C12H19F2NO4 — CID 114153013

IUPAC2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C12H19F2NO4/c13-12(14,8-16)7-15-9(17)5-11(6-10(18)19)3-1-2-4-11/h16H,1-8H2,(H,15,17)(H,18,19)
InChIKeyNNOLJSGNWVOJCM-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.16
Rot. Bonds7

About 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 114153013) has the molecular formula C12H19F2NO4 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID114153013
Molecular FormulaC12H19F2NO4
Molecular Weight279.28 g/mol
Exact Mass279.13
IUPAC Name2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C12H19F2NO4/c13-12(14,8-16)7-15-9(17)5-11(6-10(18)19)3-1-2-4-11/h16H,1-8H2,(H,15,17)(H,18,19)
InChIKeyNNOLJSGNWVOJCM-UHFFFAOYSA-N
XLogP1.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 114153013) is 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCC(F)(F)CO)CCCC1.
What is the InChIKey of 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is NNOLJSGNWVOJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO4/c13-12(14,8-16)7-15-9(17)5-11(6-10(18)19)3-1-2-4-11/h16H,1-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 279.28 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 114153013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).