1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid

C10H13N3O4 — CID 106374467

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
SMILESCc1cnc(CNC(=O)NC2(C(=O)O)CC2)o1
InChIInChI=1S/C10H13N3O4/c1-6-4-11-7(17-6)5-12-9(16)13-10(2-3-10)8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyDIGBHXSCJSUEQT-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.40
Rot. Bonds4

About 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid

1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 106374467) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID106374467
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
SMILESCc1cnc(CNC(=O)NC2(C(=O)O)CC2)o1
InChIInChI=1S/C10H13N3O4/c1-6-4-11-7(17-6)5-12-9(16)13-10(2-3-10)8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyDIGBHXSCJSUEQT-UHFFFAOYSA-N
XLogP0.40
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
CID 106375343
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid (CID 106374467) is 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid is Cc1cnc(CNC(=O)NC2(C(=O)O)CC2)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is DIGBHXSCJSUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-4-11-7(17-6)5-12-9(16)13-10(2-3-10)8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid?
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106374467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).