N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide

C13H20F2N2O3 — CID 134349747

IUPACN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(F)(F)C1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C13H20F2N2O3/c1-7(10(18)12(20)16-6-8-2-3-8)17-11(19)9-4-13(14,15)5-9/h7-10,18H,2-6H2,1H3,(H,16,20)(H,17,19)
InChIKeyAOBVGMIDBLDKHB-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.42
Rot. Bonds6

About N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 134349747) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID134349747
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC NameN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(F)(F)C1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C13H20F2N2O3/c1-7(10(18)12(20)16-6-8-2-3-8)17-11(19)9-4-13(14,15)5-9/h7-10,18H,2-6H2,1H3,(H,16,20)(H,17,19)
InChIKeyAOBVGMIDBLDKHB-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 134349747) is N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide is CC(NC(=O)C1CC(F)(F)C1)C(O)C(=O)NCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is AOBVGMIDBLDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-7(10(18)12(20)16-6-8-2-3-8)17-11(19)9-4-13(14,15)5-9/h7-10,18H,2-6H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 290.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 134349747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).