[4-(hydroxymethyl)oxan-4-yl]carbamic acid

C7H13NO4 — CID 68806059

IUPAC[4-(hydroxymethyl)oxan-4-yl]carbamic acid
SMILESO=C(O)NC1(CO)CCOCC1
InChIInChI=1S/C7H13NO4/c9-5-7(8-6(10)11)1-3-12-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyZKYFOJOZBGACNG-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.20
Rot. Bonds2

About [4-(hydroxymethyl)oxan-4-yl]carbamic acid

[4-(hydroxymethyl)oxan-4-yl]carbamic acid (PubChem CID 68806059) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is [4-(hydroxymethyl)oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)oxan-4-yl]carbamic acid
PubChem CID68806059
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name[4-(hydroxymethyl)oxan-4-yl]carbamic acid
SMILESO=C(O)NC1(CO)CCOCC1
InChIInChI=1S/C7H13NO4/c9-5-7(8-6(10)11)1-3-12-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyZKYFOJOZBGACNG-UHFFFAOYSA-N
XLogP-0.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
CID 170599713
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
CID 106298831
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)oxan-4-yl]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)oxan-4-yl]carbamic acid (CID 68806059) is [4-(hydroxymethyl)oxan-4-yl]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)oxan-4-yl]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)oxan-4-yl]carbamic acid is O=C(O)NC1(CO)CCOCC1.
What is the InChIKey of [4-(hydroxymethyl)oxan-4-yl]carbamic acid?
The InChIKey is ZKYFOJOZBGACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-5-7(8-6(10)11)1-3-12-4-2-7/h8-9H,1-5H2,(H,10,11).
What are the key properties of [4-(hydroxymethyl)oxan-4-yl]carbamic acid?
[4-(hydroxymethyl)oxan-4-yl]carbamic acid has a molecular weight of 175.18 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)oxan-4-yl]carbamic acid is sourced from PubChem (CID 68806059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).