2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid

C11H21N3O4 — CID 107439464

IUPAC2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-11(2,3)7-13-10(18)14(5-8(12)15)6-9(16)17/h4-7H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyCCFMMNFTCXIWHI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.00
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid (PubChem CID 107439464) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
PubChem CID107439464
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-11(2,3)7-13-10(18)14(5-8(12)15)6-9(16)17/h4-7H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyCCFMMNFTCXIWHI-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
CID 114169808
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
CID 103463334
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078
2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005640
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid (CID 107439464) is 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid is CCC(C)(C)CNC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid?
The InChIKey is CCFMMNFTCXIWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-11(2,3)7-13-10(18)14(5-8(12)15)6-9(16)17/h4-7H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 0.00, 7 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)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107439464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).