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

C8H16N2O3 — CID 61195850

IUPAC3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-6-10(2)8(13)9-5-4-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyUDYFBAIWIMOGHR-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.51
Rot. Bonds5

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

3-[[methyl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 61195850) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[[methyl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl(propyl)carbamoyl]amino]propanoic acid
PubChem CID61195850
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-6-10(2)8(13)9-5-4-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyUDYFBAIWIMOGHR-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
CID 88765209
3-[methyl-[2-(2-methylpentanoylamino)ethylcarbamoyl]amino]propanoic acid
CID 122015297
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816
3-[2-tert-butylsulfanylethylcarbamoyl(methyl)amino]propanoic acid
CID 122000379
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[methyl(propyl)carbamoyl]amino]propanoic acid (CID 61195850) is 3-[[methyl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[methyl(propyl)carbamoyl]amino]propanoic acid is CCCN(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is UDYFBAIWIMOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-6-10(2)8(13)9-5-4-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
3-[[methyl(propyl)carbamoyl]amino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61195850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).