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

C14H19N3O4 — CID 129004809

IUPAC2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccon2)C1
InChIInChI=1S/C14H19N3O4/c18-13(19)8-17(7-9-1-2-9)11-5-10(6-11)15-14(20)12-3-4-21-16-12/h3-4,9-11H,1-2,5-8H2,(H,15,20)(H,18,19)
InChIKeyLEILNTLVOLJBDE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.73
Rot. Bonds7

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

2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid (PubChem CID 129004809) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
PubChem CID129004809
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccon2)C1
InChIInChI=1S/C14H19N3O4/c18-13(19)8-17(7-9-1-2-9)11-5-10(6-11)15-14(20)12-3-4-21-16-12/h3-4,9-11H,1-2,5-8H2,(H,15,20)(H,18,19)
InChIKeyLEILNTLVOLJBDE-UHFFFAOYSA-N
XLogP0.73
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004037
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
CID 129008353
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094218
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 129343798
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-[cyclopropylmethyl-[3-[[4-(methylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074740
2-[[3-(1,3-benzodioxol-5-ylcarbamoylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073385
2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086987

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid (CID 129004809) is 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccon2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
The InChIKey is LEILNTLVOLJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13(19)8-17(7-9-1-2-9)11-5-10(6-11)15-14(20)12-3-4-21-16-12/h3-4,9-11H,1-2,5-8H2,(H,15,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129004809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).