2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid

C10H14N4O4 — CID 43466849

IUPAC2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1nnc(C2CC2)o1)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-5(9(16)17)11-4-7(15)12-10-14-13-8(18-10)6-2-3-6/h5-6,11H,2-4H2,1H3,(H,16,17)(H,12,14,15)
InChIKeyJAEVOEAQXLBKNP-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.05
Rot. Bonds6

About 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid

2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466849) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466849
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)Nc1nnc(C2CC2)o1)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-5(9(16)17)11-4-7(15)12-10-14-13-8(18-10)6-2-3-6/h5-6,11H,2-4H2,1H3,(H,16,17)(H,12,14,15)
InChIKeyJAEVOEAQXLBKNP-UHFFFAOYSA-N
XLogP-0.05
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid with MolForge

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 79790136
tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66951146
[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 68892927
tert-butyl [(1S)-1-{5-[(cyclopropylcarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 70795363
tert-butyl N-[1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969652
[(1S)-2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
CID 134249402
[2-Methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
CID 134249403
[(1R)-2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
CID 134249525
1-[2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441273
1-[2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442077
2-[[2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442613
2-[Methyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
CID 43442671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466849) is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)Nc1nnc(C2CC2)o1)C(=O)O.
What is the InChIKey of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is JAEVOEAQXLBKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5(9(16)17)11-4-7(15)12-10-14-13-8(18-10)6-2-3-6/h5-6,11H,2-4H2,1H3,(H,16,17)(H,12,14,15).
What are the key properties of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).