3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid

C11H17N3O4 — CID 106389285

IUPAC3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(C(C)NC(=O)N(C)CCC(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-7-6-12-10(18-7)8(2)13-11(17)14(3)5-4-9(15)16/h6,8H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRBAYOVVZAXROCD-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.16
Rot. Bonds5

About 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid

3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106389285) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106389285
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1cnc(C(C)NC(=O)N(C)CCC(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-7-6-12-10(18-7)8(2)13-11(17)14(3)5-4-9(15)16/h6,8H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRBAYOVVZAXROCD-UHFFFAOYSA-N
XLogP1.16
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389409
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid (CID 106389285) is 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid is Cc1cnc(C(C)NC(=O)N(C)CCC(=O)O)o1.
What is the InChIKey of 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is RBAYOVVZAXROCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-6-12-10(18-7)8(2)13-11(17)14(3)5-4-9(15)16/h6,8H,4-5H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid?
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106389285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).