3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid

C10H18N2O4 — CID 103159981

IUPAC3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
SMILESCOC(CNC(=O)NC1(C)CC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(3-4-10)12-9(15)11-6-7(16-2)5-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyRHYXXBGWNAGZSZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds6

About 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid

3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid (PubChem CID 103159981) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
PubChem CID103159981
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
SMILESCOC(CNC(=O)NC1(C)CC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(3-4-10)12-9(15)11-6-7(16-2)5-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyRHYXXBGWNAGZSZ-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
CID 103160120
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
2-methoxy-3-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
CID 106110254
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
CID 103152651
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid (CID 103159981) is 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid is COC(CNC(=O)NC1(C)CC1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid?
The InChIKey is RHYXXBGWNAGZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(3-4-10)12-9(15)11-6-7(16-2)5-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid?
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103159981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).