2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid

C12H20F2N2O4 — CID 107481751

IUPAC2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CC(F)F)C1CCCC1
InChIInChI=1S/C12H20F2N2O4/c13-10(14)7-15(5-6-17)12(20)16(8-11(18)19)9-3-1-2-4-9/h9-10,17H,1-8H2,(H,18,19)
InChIKeyXNDWMXHSAFZGPK-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.00
Rot. Bonds7

About 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (PubChem CID 107481751) has the molecular formula C12H20F2N2O4 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
PubChem CID107481751
Molecular FormulaC12H20F2N2O4
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CC(F)F)C1CCCC1
InChIInChI=1S/C12H20F2N2O4/c13-10(14)7-15(5-6-17)12(20)16(8-11(18)19)9-3-1-2-4-9/h9-10,17H,1-8H2,(H,18,19)
InChIKeyXNDWMXHSAFZGPK-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
CID 107481830
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497
1-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479396
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (CID 107481751) is 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is O=C(O)CN(C(=O)N(CCO)CC(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The InChIKey is XNDWMXHSAFZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O4/c13-10(14)7-15(5-6-17)12(20)16(8-11(18)19)9-3-1-2-4-9/h9-10,17H,1-8H2,(H,18,19).
What are the key properties of 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid has a molecular weight of 294.30 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107481751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).