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

C8H16N2O4 — CID 66167993

IUPAC2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-4-10(2)8(14)9-5-6(11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyFLQRIFHBMTVJHW-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.52
Rot. Bonds5

About 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid

2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 66167993) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
PubChem CID66167993
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-4-10(2)8(14)9-5-6(11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyFLQRIFHBMTVJHW-UHFFFAOYSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
(2S)-3-[[butan-2-yl(butyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839256
(2S)-2-hydroxy-3-[[piperidin-4-yl(propyl)carbamoyl]amino]propanoic acid
CID 107838747
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid (CID 66167993) is 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid is CCCN(C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is FLQRIFHBMTVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-4-10(2)8(14)9-5-6(11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 66167993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).