N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide

C12H25N3O4 — CID 14407230

IUPACN-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCOCC1)NCC(O)CO
InChIInChI=1S/C12H25N3O4/c1-12(2,14-7-10(17)8-16)9-13-11(18)15-3-5-19-6-4-15/h10,14,16-17H,3-9H2,1-2H3,(H,13,18)
InChIKeyBZHHZSJZKYZTJT-UHFFFAOYSA-N
MW275.35 g/mol
LogP-1.25
Rot. Bonds6

About N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide

N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide (PubChem CID 14407230) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide
PubChem CID14407230
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC NameN-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide
SMILESCC(C)(CNC(=O)N1CCOCC1)NCC(O)CO
InChIInChI=1S/C12H25N3O4/c1-12(2,14-7-10(17)8-16)9-13-11(18)15-3-5-19-6-4-15/h10,14,16-17H,3-9H2,1-2H3,(H,13,18)
InChIKeyBZHHZSJZKYZTJT-UHFFFAOYSA-N
XLogP-1.25
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide (CID 14407230) is N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide is CC(C)(CNC(=O)N1CCOCC1)NCC(O)CO.
What is the InChIKey of N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide?
The InChIKey is BZHHZSJZKYZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-12(2,14-7-10(17)8-16)9-13-11(18)15-3-5-19-6-4-15/h10,14,16-17H,3-9H2,1-2H3,(H,13,18).
What are the key properties of N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide?
N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of -1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 14407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).