4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid

C10H17N3O5 — CID 113364506

IUPAC4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCC1(NC(=O)NC(CC(N)=O)C(=O)O)CCOC1
InChIInChI=1S/C10H17N3O5/c1-10(2-3-18-5-10)13-9(17)12-6(8(15)16)4-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeySQKLBKNJAQCVGY-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.21
Rot. Bonds5

About 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid

4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 113364506) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID113364506
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCC1(NC(=O)NC(CC(N)=O)C(=O)O)CCOC1
InChIInChI=1S/C10H17N3O5/c1-10(2-3-18-5-10)13-9(17)12-6(8(15)16)4-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeySQKLBKNJAQCVGY-UHFFFAOYSA-N
XLogP-1.21
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
CID 114114265
(2R)-2-[(4-methyloxan-4-yl)carbamoylamino]hexanedioic acid
CID 107841154
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61428585
(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 114005749
1-ethoxy-3-(3-methyloxolan-3-yl)urea
CID 130615932
(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
1-tert-butyl-3-(3-methyloxolan-3-yl)urea
CID 115766446

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid (CID 113364506) is 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid is CC1(NC(=O)NC(CC(N)=O)C(=O)O)CCOC1.
What is the InChIKey of 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is SQKLBKNJAQCVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-10(2-3-18-5-10)13-9(17)12-6(8(15)16)4-7(11)14/h6H,2-5H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid?
4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 113364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).