4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 66253895

IUPAC4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N(CC)CC1CC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-7-17(13-10-21-9-12(13)14(18)19)15(20)16(4-2)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJZGSMNSXJHBKID-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds7

About 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid

4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66253895) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66253895
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N(CC)CC1CC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-7-17(13-10-21-9-12(13)14(18)19)15(20)16(4-2)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJZGSMNSXJHBKID-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[[2-cyanoethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66251544
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79482624
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid (CID 66253895) is 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)N(CC)CC1CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is JZGSMNSXJHBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-7-17(13-10-21-9-12(13)14(18)19)15(20)16(4-2)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).