3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid

C11H21N3O4 — CID 106238668

IUPAC3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCCCC(N)=O
InChIInChI=1S/C11H21N3O4/c1-2-14(8-6-10(16)17)11(18)13-7-4-3-5-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyWOSVTTQXXUTZPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.15
Rot. Bonds9

About 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid

3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid (PubChem CID 106238668) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
PubChem CID106238668
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCCCC(N)=O
InChIInChI=1S/C11H21N3O4/c1-2-14(8-6-10(16)17)11(18)13-7-4-3-5-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyWOSVTTQXXUTZPN-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic 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

5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
3-[ethyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]propanoic acid
CID 106038851
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid?
The IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid (CID 106238668) is 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid?
The canonical SMILES for 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)NCCCCC(N)=O.
What is the InChIKey of 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid?
The InChIKey is WOSVTTQXXUTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-2-14(8-6-10(16)17)11(18)13-7-4-3-5-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid?
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid is sourced from PubChem (CID 106238668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).