2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide

C9H18N2O3 — CID 106297841

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCC(NC1(CO)CCOCC1)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(8(10)13)11-9(6-12)2-4-14-5-3-9/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyVVDJCBHHHPEGJR-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.01
Rot. Bonds4

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (PubChem CID 106297841) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
PubChem CID106297841
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCC(NC1(CO)CCOCC1)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(8(10)13)11-9(6-12)2-4-14-5-3-9/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyVVDJCBHHHPEGJR-UHFFFAOYSA-N
XLogP-1.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297661
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
CID 106297634
methyl 3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 103952283
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
CID 113233848
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (CID 106297841) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is CC(NC1(CO)CCOCC1)C(N)=O.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The InChIKey is VVDJCBHHHPEGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(8(10)13)11-9(6-12)2-4-14-5-3-9/h7,11-12H,2-6H2,1H3,(H2,10,13).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide has a molecular weight of 202.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is sourced from PubChem (CID 106297841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).