(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid

C11H18N2O5 — CID 107828477

IUPAC(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CC2CCC1O2)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H18N2O5/c14-4-3-7(10(15)16)12-11(17)13-8-5-6-1-2-9(8)18-6/h6-9,14H,1-5H2,(H,15,16)(H2,12,13,17)/t6?,7-,8?,9?/m1/s1
InChIKeyFOFOHGSLIUNIEP-LDIRUYLGSA-N
MW258.27 g/mol
LogP-0.56
Rot. Bonds5

About (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid

(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid (PubChem CID 107828477) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
PubChem CID107828477
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CC2CCC1O2)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H18N2O5/c14-4-3-7(10(15)16)12-11(17)13-8-5-6-1-2-9(8)18-6/h6-9,14H,1-5H2,(H,15,16)(H2,12,13,17)/t6?,7-,8?,9?/m1/s1
InChIKeyFOFOHGSLIUNIEP-LDIRUYLGSA-N
XLogP-0.56
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
(2R)-4-amino-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107828479
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 81071061
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-acetamido-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 80720713
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid (CID 107828477) is (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid is O=C(NC1CC2CCC1O2)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is FOFOHGSLIUNIEP-LDIRUYLGSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-4-3-7(10(15)16)12-11(17)13-8-5-6-1-2-9(8)18-6/h6-9,14H,1-5H2,(H,15,16)(H2,12,13,17)/t6?,7-,8?,9?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107828477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).