[(3S)-oxan-3-yl]carbamic acid

C6H11NO3 — CID 141364908

IUPAC[(3S)-oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyWAKDLOFZBIGQDW-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.43
Rot. Bonds1

About [(3S)-oxan-3-yl]carbamic acid

[(3S)-oxan-3-yl]carbamic acid (PubChem CID 141364908) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(3S)-oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-oxan-3-yl]carbamic acid
PubChem CID141364908
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(3S)-oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyWAKDLOFZBIGQDW-YFKPBYRVSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-3-ylcarbamic acid
CID 68631624
N-(oxan-3-yl)acetamide
CID 55285282
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
CID 131113536
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
6-(oxan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 63363591
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
5-chloro-N-(oxan-3-yl)pentanamide
CID 63363269
3-(oxan-3-ylamino)propanoic acid
CID 63363556
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
CID 66164936

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxan-3-yl]carbamic acid?
The IUPAC name of [(3S)-oxan-3-yl]carbamic acid (CID 141364908) is [(3S)-oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-oxan-3-yl]carbamic acid?
The canonical SMILES for [(3S)-oxan-3-yl]carbamic acid is O=C(O)N[C@H]1CCCOC1.
What is the InChIKey of [(3S)-oxan-3-yl]carbamic acid?
The InChIKey is WAKDLOFZBIGQDW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of [(3S)-oxan-3-yl]carbamic acid?
[(3S)-oxan-3-yl]carbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxan-3-yl]carbamic acid is sourced from PubChem (CID 141364908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).