2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid

C12H17N3O4 — CID 129004037

IUPAC2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c1-2-15(7-11(16)17)9-5-8(6-9)13-12(18)10-3-4-19-14-10/h3-4,8-9H,2,5-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyKXKVKMXARCEXRZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.34
Rot. Bonds6

About 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid

2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid (PubChem CID 129004037) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
PubChem CID129004037
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c1-2-15(7-11(16)17)9-5-8(6-9)13-12(18)10-3-4-19-14-10/h3-4,8-9H,2,5-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyKXKVKMXARCEXRZ-UHFFFAOYSA-N
XLogP0.34
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 129001536
2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122111308
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 129335580
2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 129005236
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 128993619
2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026564
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122015286
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid (CID 129004037) is 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)c2ccon2)C1.
What is the InChIKey of 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The InChIKey is KXKVKMXARCEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-15(7-11(16)17)9-5-8(6-9)13-12(18)10-3-4-19-14-10/h3-4,8-9H,2,5-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129004037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).