4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid

C13H22N2O4 — CID 114114326

IUPAC4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(C)C1(CNC(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)13(3-4-13)7-14-12(18)15-10-6-19-5-9(10)11(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyPKANZOYIMPGHLQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.82
Rot. Bonds5

About 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid

4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 114114326) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID114114326
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(C)C1(CNC(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-8(2)13(3-4-13)7-14-12(18)15-10-6-19-5-9(10)11(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyPKANZOYIMPGHLQ-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241559
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[(4-bromophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240540
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240170
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 114114326) is 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid is CC(C)C1(CNC(=O)NC2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is PKANZOYIMPGHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)13(3-4-13)7-14-12(18)15-10-6-19-5-9(10)11(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114114326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).