1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid

C14H25N3O4 — CID 63148934

IUPAC1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCCCNC(=O)NC(=O)CN1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-5-7-15-13(21)16-11(18)9-17-8-6-14(4-2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyOLDNJWJHYLZXEQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds7

About 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63148934) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63148934
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCCCNC(=O)NC(=O)CN1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-5-7-15-13(21)16-11(18)9-17-8-6-14(4-2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyOLDNJWJHYLZXEQ-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140609
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55412983
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(butylcarbamoyl)acetamide
CID 11932062
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
1-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126994
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63148934) is 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid is CCCCNC(=O)NC(=O)CN1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is OLDNJWJHYLZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-5-7-15-13(21)16-11(18)9-17-8-6-14(4-2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).