2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid

C13H24N4O4 — CID 122126682

IUPAC2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N1CCC(NC(N)=O)C1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-3-13(4-2,10(18)19)8-15-12(21)17-6-5-9(7-17)16-11(14)20/h9H,3-8H2,1-2H3,(H,15,21)(H,18,19)(H3,14,16,20)
InChIKeyUUEKZBFXAVNHFX-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.33
Rot. Bonds6

About 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid

2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 122126682) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID122126682
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N1CCC(NC(N)=O)C1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-3-13(4-2,10(18)19)8-15-12(21)17-6-5-9(7-17)16-11(14)20/h9H,3-8H2,1-2H3,(H,15,21)(H,18,19)(H3,14,16,20)
InChIKeyUUEKZBFXAVNHFX-UHFFFAOYSA-N
XLogP0.33
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic 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

2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308752
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 43437467
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide
CID 119820641
[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
CID 177272345
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid (CID 122126682) is 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)N1CCC(NC(N)=O)C1)C(=O)O.
What is the InChIKey of 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is UUEKZBFXAVNHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-3-13(4-2,10(18)19)8-15-12(21)17-6-5-9(7-17)16-11(14)20/h9H,3-8H2,1-2H3,(H,15,21)(H,18,19)(H3,14,16,20).
What are the key properties of 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122126682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).