3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid

C11H21N3O4 — CID 55105126

IUPAC3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-4-5-14(7-9(12)15)11(18)13-6-8(2)10(16)17/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyXAJPUZOLHVTMKQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.00
Rot. Bonds8

About 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid

3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55105126) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55105126
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCCN(CC(N)=O)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-3-4-5-14(7-9(12)15)11(18)13-6-8(2)10(16)17/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyXAJPUZOLHVTMKQ-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid (CID 55105126) is 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid is CCCCN(CC(N)=O)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XAJPUZOLHVTMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-4-5-14(7-9(12)15)11(18)13-6-8(2)10(16)17/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid?
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55105126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).