1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid

C14H25N3O4 — CID 63144705

IUPAC1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(CC(C)C)NC(N)=O)C1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-6-17(8-14)11(18)10(7-9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21)
InChIKeyYRKBKOLUISFJBQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.78
Rot. Bonds6

About 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63144705) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63144705
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(CC(C)C)NC(N)=O)C1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-6-17(8-14)11(18)10(7-9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21)
InChIKeyYRKBKOLUISFJBQ-UHFFFAOYSA-N
XLogP0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125301
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
1-[(2R)-2-amino-4-methylpentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104903454
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144412
4-ethyl-1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 55177384
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107472114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63144705) is 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C(CC(C)C)NC(N)=O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is YRKBKOLUISFJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-6-17(8-14)11(18)10(7-9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21).
What are the key properties of 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).