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

C13H21N3O4 — CID 106373938

IUPAC3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCc1cnc(CNC(=O)N(CC)C(C)CC(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-4-10-7-14-11(20-10)8-15-13(19)16(5-2)9(3)6-12(17)18/h7,9H,4-6,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVKDPJSAKUCSOCT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.63
Rot. Bonds7

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

3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 106373938) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID106373938
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
SMILESCCc1cnc(CNC(=O)N(CC)C(C)CC(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-4-10-7-14-11(20-10)8-15-13(19)16(5-2)9(3)6-12(17)18/h7,9H,4-6,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVKDPJSAKUCSOCT-UHFFFAOYSA-N
XLogP1.63
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106005581
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
3-[(4-chlorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 62826590
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid (CID 106373938) is 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid is CCc1cnc(CNC(=O)N(CC)C(C)CC(=O)O)o1.
What is the InChIKey of 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is VKDPJSAKUCSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-10-7-14-11(20-10)8-15-13(19)16(5-2)9(3)6-12(17)18/h7,9H,4-6,8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid?
3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 106373938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).