3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid

C9H18N2O4 — CID 62997589

IUPAC3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCCN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(6-3-7-15-2)9(14)10-5-4-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyFIFQBOYVPFTPFM-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.14
Rot. Bonds7

About 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid

3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 62997589) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID62997589
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCCN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(6-3-7-15-2)9(14)10-5-4-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyFIFQBOYVPFTPFM-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
3-[[2-(4-bromophenoxy)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019494
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid (CID 62997589) is 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid is COCCCN(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is FIFQBOYVPFTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-11(6-3-7-15-2)9(14)10-5-4-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid?
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62997589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).