4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid

C13H25N3O4 — CID 103160120

IUPAC4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)NCC1(N(C)C)CCC1)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-16(2)13(5-4-6-13)9-15-12(19)14-8-10(20-3)7-11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyOOEIHQCWVXXAGA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.26
Rot. Bonds8

About 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid

4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid (PubChem CID 103160120) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
PubChem CID103160120
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)NCC1(N(C)C)CCC1)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-16(2)13(5-4-6-13)9-15-12(19)14-8-10(20-3)7-11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyOOEIHQCWVXXAGA-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid (CID 103160120) is 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid is COC(CNC(=O)NCC1(N(C)C)CCC1)CC(=O)O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid?
The InChIKey is OOEIHQCWVXXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-16(2)13(5-4-6-13)9-15-12(19)14-8-10(20-3)7-11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid?
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).