1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C10H12N2O4 — CID 115449811

IUPAC1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H12N2O4/c1-6-4-12-16-7(6)8(13)11-5-10(2-3-10)9(14)15/h4H,2-3,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYUUZXMVTGZWTFI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.58
Rot. Bonds4

About 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449811) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449811
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H12N2O4/c1-6-4-12-16-7(6)8(13)11-5-10(2-3-10)9(14)15/h4H,2-3,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYUUZXMVTGZWTFI-UHFFFAOYSA-N
XLogP0.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440980
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334355
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335560
4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449811) is 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1cnoc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YUUZXMVTGZWTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-4-12-16-7(6)8(13)11-5-10(2-3-10)9(14)15/h4H,2-3,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).