2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid

C9H16N2O5 — CID 66164936

IUPAC2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)NC1CCCOC1
InChIInChI=1S/C9H16N2O5/c12-7(8(13)14)4-10-9(15)11-6-2-1-3-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15)
InChIKeySRXPAQKMFXSJGP-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.09
Rot. Bonds4

About 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid

2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid (PubChem CID 66164936) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
PubChem CID66164936
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)NC1CCCOC1
InChIInChI=1S/C9H16N2O5/c12-7(8(13)14)4-10-9(15)11-6-2-1-3-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15)
InChIKeySRXPAQKMFXSJGP-UHFFFAOYSA-N
XLogP-1.09
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
3-[(oxan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 81069079
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 66166156
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid (CID 66164936) is 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid is O=C(NCC(O)C(=O)O)NC1CCCOC1.
What is the InChIKey of 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid?
The InChIKey is SRXPAQKMFXSJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-7(8(13)14)4-10-9(15)11-6-2-1-3-16-5-6/h6-7,12H,1-5H2,(H,13,14)(H2,10,11,15).
What are the key properties of 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid?
2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66164936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).