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

C9H10N2O4 — CID 66335098

IUPAC1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H10N2O4/c1-5-4-10-15-6(5)7(12)11-9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyCGJNRNUZFMKDJO-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.33
Rot. Bonds3

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

1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 66335098) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID66335098
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H10N2O4/c1-5-4-10-15-6(5)7(12)11-9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyCGJNRNUZFMKDJO-UHFFFAOYSA-N
XLogP0.33
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335560
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440980
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158869
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65451768
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 66335098) is 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid is Cc1cnoc1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is CGJNRNUZFMKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5-4-10-15-6(5)7(12)11-9(2-3-9)8(13)14/h4H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.33, 3 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66335098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).