(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid

C11H20N2O5 — CID 107829262

IUPAC(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)N[C@@H](CCO)C(=O)O)C1CCOC1
InChIInChI=1S/C11H20N2O5/c1-7(8-3-5-18-6-8)12-11(17)13-9(2-4-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,8?,9-/m0/s1
InChIKeyOEQCHXVJRUKXJP-HACHORDNSA-N
MW260.29 g/mol
LogP-0.45
Rot. Bonds6

About (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid

(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 107829262) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
PubChem CID107829262
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)N[C@@H](CCO)C(=O)O)C1CCOC1
InChIInChI=1S/C11H20N2O5/c1-7(8-3-5-18-6-8)12-11(17)13-9(2-4-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,8?,9-/m0/s1
InChIKeyOEQCHXVJRUKXJP-HACHORDNSA-N
XLogP-0.45
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
(2S)-5-methoxy-5-oxo-2-[1-(oxolan-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107829261
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
2-[1-(oxan-4-yl)ethylcarbamoylamino]pent-4-ynoic acid
CID 114115293
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
CID 107823475
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 124856109
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid (CID 107829262) is (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)N[C@@H](CCO)C(=O)O)C1CCOC1.
What is the InChIKey of (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is OEQCHXVJRUKXJP-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(8-3-5-18-6-8)12-11(17)13-9(2-4-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid?
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107829262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).