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

C15H26N2O3 — CID 75367065

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)C1CC1
InChIInChI=1S/C15H26N2O3/c18-14-12(17-11-4-2-1-3-5-11)9-20-13(14)8-16-15(19)10-6-7-10/h10-14,17-18H,1-9H2,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyMEBXHVRTFHMAPK-MCIONIFRSA-N
MW282.38 g/mol
LogP0.56
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75367065) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75367065
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)C1CC1
InChIInChI=1S/C15H26N2O3/c18-14-12(17-11-4-2-1-3-5-11)9-20-13(14)8-16-15(19)10-6-7-10/h10-14,17-18H,1-9H2,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyMEBXHVRTFHMAPK-MCIONIFRSA-N
XLogP0.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.56
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-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75367065) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)C1CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MEBXHVRTFHMAPK-MCIONIFRSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14-12(17-11-4-2-1-3-5-11)9-20-13(14)8-16-15(19)10-6-7-10/h10-14,17-18H,1-9H2,(H,16,19)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.56, 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-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).