2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid

C11H17N3O4 — CID 106374246

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCCc1cnc(CNC(=O)NC(CC)C(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-3-7-5-12-9(18-7)6-13-11(17)14-8(4-2)10(15)16/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyVXRFBEKDOQIAFT-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.90
Rot. Bonds6

About 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 106374246) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID106374246
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCCc1cnc(CNC(=O)NC(CC)C(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-3-7-5-12-9(18-7)6-13-11(17)14-8(4-2)10(15)16/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyVXRFBEKDOQIAFT-UHFFFAOYSA-N
XLogP0.90
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (CID 106374246) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is CCc1cnc(CNC(=O)NC(CC)C(=O)O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is VXRFBEKDOQIAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-7-5-12-9(18-7)6-13-11(17)14-8(4-2)10(15)16/h5,8H,3-4,6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106374246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).