2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid

C11H21N3O4 — CID 64598626

IUPAC2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(C)C(C)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)8(3)4-13-11(18)14-5-9(15)12-6-10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBNSSJVQTBHBOCP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 64598626) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID64598626
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(C)C(C)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)8(3)4-13-11(18)14-5-9(15)12-6-10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBNSSJVQTBHBOCP-UHFFFAOYSA-N
XLogP-0.22
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]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-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
CID 107817392
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62635691
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid (CID 64598626) is 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid is CC(C)C(C)CNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is BNSSJVQTBHBOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(2)8(3)4-13-11(18)14-5-9(15)12-6-10(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 64598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).