2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid

C10H19N3O4 — CID 107437318

IUPAC2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
SMILESCCCCCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-3-4-5-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyDXEFJUYVLWOWLN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.24
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid (PubChem CID 107437318) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
PubChem CID107437318
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
SMILESCCCCCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-3-4-5-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyDXEFJUYVLWOWLN-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic 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-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[carboxymethyl(5-methylsulfanylpentylcarbamoyl)amino]acetic acid
CID 114128545
1,1,3-tri(undecyl)urea
CID 168918847

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid (CID 107437318) is 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid is CCCCCNC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid?
The InChIKey is DXEFJUYVLWOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-3-4-5-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107437318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).