4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid

C12H20N4O4 — CID 106404699

IUPAC4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCc1ncon1
InChIInChI=1S/C12H20N4O4/c1-9(2)16(7-3-4-11(17)18)12(19)13-6-5-10-14-8-20-15-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyFAXCSBODHSAZNF-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.90
Rot. Bonds8

About 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid

4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 106404699) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid
PubChem CID106404699
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCc1ncon1
InChIInChI=1S/C12H20N4O4/c1-9(2)16(7-3-4-11(17)18)12(19)13-6-5-10-14-8-20-15-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyFAXCSBODHSAZNF-UHFFFAOYSA-N
XLogP0.90
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
CID 82651982
(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
CID 96849104
4-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]butanoic acid
CID 60832989
4-(1,2,4-Oxadiazol-3-ylmethylamino)pentanoic acid
CID 106392934
2,3-Dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
CID 106394714
4-[2-(1,2,4-Oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
CID 106394718
2,2-Dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
CID 106394751
4-[2-(1,2,4-Oxadiazol-3-yl)ethylamino]pentanoic acid
CID 106395904
2-[2-(1,2,4-Oxadiazol-3-yl)ethylamino]butanoic acid
CID 106396792
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 106397639
3-Amino-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
CID 106397921
Methyl 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400591

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid (CID 106404699) is 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCCc1ncon1.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is FAXCSBODHSAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-9(2)16(7-3-4-11(17)18)12(19)13-6-5-10-14-8-20-15-10/h8-9H,3-7H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid?
4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 106404699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).