2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid

C10H19N3O4 — CID 61201140

IUPAC2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-6-13(7-9(15)16)10(17)12-5-4-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyMAZDNIXTFXWQDP-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds7

About 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid

2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid (PubChem CID 61201140) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
PubChem CID61201140
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-6-13(7-9(15)16)10(17)12-5-4-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyMAZDNIXTFXWQDP-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-acetamidoethylcarbamoyl(propyl)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-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[hex-5-ynylcarbamoyl(propyl)amino]acetic acid
CID 106215879
2-[2-but-3-enoxyethylcarbamoyl(propyl)amino]acetic acid
CID 106405100
2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
CID 55134965
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
CID 64530196
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid (CID 61201140) is 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NCCNC(C)=O.
What is the InChIKey of 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is MAZDNIXTFXWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-6-13(7-9(15)16)10(17)12-5-4-11-8(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid?
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 61201140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).