N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide

C13H20F2N2O3 — CID 134349746

IUPACN-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)C1CC(F)(F)C1
InChIInChI=1S/C13H20F2N2O3/c1-8(11(19)12(20)16-6-9-2-3-9)17(7-18)10-4-13(14,15)5-10/h7-11,19H,2-6H2,1H3,(H,16,20)
InChIKeyYMXHTQIMDXAUGW-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.52
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide

N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide (PubChem CID 134349746) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide
PubChem CID134349746
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC NameN-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)C1CC(F)(F)C1
InChIInChI=1S/C13H20F2N2O3/c1-8(11(19)12(20)16-6-9-2-3-9)17(7-18)10-4-13(14,15)5-10/h7-11,19H,2-6H2,1H3,(H,16,20)
InChIKeyYMXHTQIMDXAUGW-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide (CID 134349746) is N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide is CC(C(O)C(=O)NCC1CC1)N(C=O)C1CC(F)(F)C1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide?
The InChIKey is YMXHTQIMDXAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-8(11(19)12(20)16-6-9-2-3-9)17(7-18)10-4-13(14,15)5-10/h7-11,19H,2-6H2,1H3,(H,16,20).
What are the key properties of N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide?
N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide has a molecular weight of 290.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide is sourced from PubChem (CID 134349746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).