(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide

C13H22F2N2O2 — CID 177043223

IUPAC(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide
SMILESN[C@@H](CC1CCC(F)(F)CC1)C(=O)NC1CC(O)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)3-1-8(2-4-13)5-11(16)12(19)17-9-6-10(18)7-9/h8-11,18H,1-7,16H2,(H,17,19)/t9?,10?,11-/m0/s1
InChIKeyUVTJBFNIMSYEFX-ILDUYXDCSA-N
MW276.33 g/mol
LogP1.17
Rot. Bonds4

About (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide

(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide (PubChem CID 177043223) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide
PubChem CID177043223
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide
SMILESN[C@@H](CC1CCC(F)(F)CC1)C(=O)NC1CC(O)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)3-1-8(2-4-13)5-11(16)12(19)17-9-6-10(18)7-9/h8-11,18H,1-7,16H2,(H,17,19)/t9?,10?,11-/m0/s1
InChIKeyUVTJBFNIMSYEFX-ILDUYXDCSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide (CID 177043223) is (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide is N[C@@H](CC1CCC(F)(F)CC1)C(=O)NC1CC(O)C1.
What is the InChIKey of (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide?
The InChIKey is UVTJBFNIMSYEFX-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)3-1-8(2-4-13)5-11(16)12(19)17-9-6-10(18)7-9/h8-11,18H,1-7,16H2,(H,17,19)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide?
(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide has a molecular weight of 276.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide is sourced from PubChem (CID 177043223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).