N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

C13H22N2O3 — CID 75367063

IUPACN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)C1CC1
InChIInChI=1S/C13H22N2O3/c16-12-10(15-9-2-1-3-9)7-18-11(12)6-14-13(17)8-4-5-8/h8-12,15-16H,1-7H2,(H,14,17)/t10-,11-,12+/m1/s1
InChIKeyFRJIGPLCHPFMCC-UTUOFQBUSA-N
MW254.33 g/mol
LogP-0.22
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75367063) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75367063
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)C1CC1
InChIInChI=1S/C13H22N2O3/c16-12-10(15-9-2-1-3-9)7-18-11(12)6-14-13(17)8-4-5-8/h8-12,15-16H,1-7H2,(H,14,17)/t10-,11-,12+/m1/s1
InChIKeyFRJIGPLCHPFMCC-UTUOFQBUSA-N
XLogP-0.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75367063) is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)C1CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is FRJIGPLCHPFMCC-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12-10(15-9-2-1-3-9)7-18-11(12)6-14-13(17)8-4-5-8/h8-12,15-16H,1-7H2,(H,14,17)/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 254.33 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75367063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).