N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide

C9H16F2N2O2 — CID 103810599

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCNC1
InChIInChI=1S/C9H16F2N2O2/c1-9(2-3-12-5-9)8(15)13-4-6(14)7(10)11/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyUEIGSWGUJWWENO-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.27
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 103810599) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID103810599
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)F)CCNC1
InChIInChI=1S/C9H16F2N2O2/c1-9(2-3-12-5-9)8(15)13-4-6(14)7(10)11/h6-7,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyUEIGSWGUJWWENO-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpyrrolidine-3-carboxamide
CID 106175529
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 107222737
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide (CID 103810599) is N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCC(O)C(F)F)CCNC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is UEIGSWGUJWWENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-9(2-3-12-5-9)8(15)13-4-6(14)7(10)11/h6-7,12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103810599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).