3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

C12H20N2O4 — CID 82768356

IUPAC3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2(C(=O)O)CCOC2)CCCC1N
InChIInChI=1S/C12H20N2O4/c1-11(4-2-3-8(11)13)9(15)14-12(10(16)17)5-6-18-7-12/h8H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyZXXRMVAHBGIHNA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.14
Rot. Bonds3

About 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 82768356) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID82768356
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C(=O)NC2(C(=O)O)CCOC2)CCCC1N
InChIInChI=1S/C12H20N2O4/c1-11(4-2-3-8(11)13)9(15)14-12(10(16)17)5-6-18-7-12/h8H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyZXXRMVAHBGIHNA-UHFFFAOYSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-1-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 82767722
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 82767462
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82758308
2-amino-1-methyl-N-(3-methyloxan-4-yl)cyclopentane-1-carboxamide
CID 114240938
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
CID 114946205
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (CID 82768356) is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is CC1(C(=O)NC2(C(=O)O)CCOC2)CCCC1N.
What is the InChIKey of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZXXRMVAHBGIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(4-2-3-8(11)13)9(15)14-12(10(16)17)5-6-18-7-12/h8H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 82768356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).