2-[butylcarbamoyl(propyl)amino]acetic acid

C10H20N2O3 — CID 61008492

IUPAC2-[butylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCNC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-6-11-10(15)12(7-4-2)8-9(13)14/h3-8H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyXOWHBHUUAVURAF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.29
Rot. Bonds7

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

2-[butylcarbamoyl(propyl)amino]acetic acid (PubChem CID 61008492) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[butylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butylcarbamoyl(propyl)amino]acetic acid
PubChem CID61008492
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[butylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCNC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-6-11-10(15)12(7-4-2)8-9(13)14/h3-8H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyXOWHBHUUAVURAF-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
2-[hex-5-ynylcarbamoyl(propyl)amino]acetic acid
CID 106215879
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[3-imidazol-1-ylpropylcarbamoyl(propyl)amino]acetic acid
CID 61184302
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
CID 55134965
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196

Frequently Asked Questions

What is the IUPAC name of 2-[butylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[butylcarbamoyl(propyl)amino]acetic acid (CID 61008492) is 2-[butylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[butylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[butylcarbamoyl(propyl)amino]acetic acid is CCCCNC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[butylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is XOWHBHUUAVURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-6-11-10(15)12(7-4-2)8-9(13)14/h3-8H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[butylcarbamoyl(propyl)amino]acetic acid?
2-[butylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 61008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).