2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid

C10H18N2O4 — CID 63361910

IUPAC2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)12(2)10(15)11-8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyBUZAVZRXBQIUHU-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds3

About 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid

2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid (PubChem CID 63361910) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
PubChem CID63361910
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)12(2)10(15)11-8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyBUZAVZRXBQIUHU-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
CID 97219103
2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 114548788
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
N-(oxan-3-yl)acetamide
CID 55285282
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
2-[methyl-[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propanoic acid
CID 122048783
2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
CID 114096749
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid (CID 63361910) is 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NC1CCCOC1.
What is the InChIKey of 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The InChIKey is BUZAVZRXBQIUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(9(13)14)12(2)10(15)11-8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63361910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).