3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide

C11H20N2O4 — CID 106298704

IUPAC3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2(CO)CCOCC2)CCOC1
InChIInChI=1S/C11H20N2O4/c12-11(3-6-17-8-11)9(15)13-10(7-14)1-4-16-5-2-10/h14H,1-8,12H2,(H,13,15)
InChIKeyMPTRIGOSYPCGHK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.24
Rot. Bonds3

About 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide

3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide (PubChem CID 106298704) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
PubChem CID106298704
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2(CO)CCOCC2)CCOC1
InChIInChI=1S/C11H20N2O4/c12-11(3-6-17-8-11)9(15)13-10(7-14)1-4-16-5-2-10/h14H,1-8,12H2,(H,13,15)
InChIKeyMPTRIGOSYPCGHK-UHFFFAOYSA-N
XLogP-1.24
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Oxane-4-carbonylamino)oxolane-3-carboxylic acid
CID 64889580
3-amino-N-[1-(hydroxymethyl)cyclopentyl]oxolane-3-carboxamide
CID 64891805
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]oxolane-3-carboxamide
CID 64891997
3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
CID 64891998
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 64892828
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-3-carboxamide
CID 64893935
2-[(3-Aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid
CID 79804531
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 81130295
3-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-3-carboxamide
CID 81963621
4-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 81963650
N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide
CID 103954065
4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 103954200

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide (CID 106298704) is 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide is NC1(C(=O)NC2(CO)CCOCC2)CCOC1.
What is the InChIKey of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide?
The InChIKey is MPTRIGOSYPCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c12-11(3-6-17-8-11)9(15)13-10(7-14)1-4-16-5-2-10/h14H,1-8,12H2,(H,13,15).
What are the key properties of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide?
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 106298704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).