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

C12H23N3O4 — CID 83144191

IUPAC2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(CNC(=O)NCC(=O)NCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(12(2,3)4)5-14-11(19)15-6-9(16)13-7-10(17)18/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyXVTXYOKPXPYWTI-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.17
Rot. Bonds6

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

2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 83144191) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID83144191
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
SMILESCC(CNC(=O)NCC(=O)NCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(12(2,3)4)5-14-11(19)15-6-9(16)13-7-10(17)18/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyXVTXYOKPXPYWTI-UHFFFAOYSA-N
XLogP0.17
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
4-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143236
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
1-(2,2,2-trifluoroethyl)-3-(2,3,3-trimethylbutyl)urea
CID 115629640
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
CID 83143719
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403
4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
CID 107817392
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid (CID 83144191) is 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid is CC(CNC(=O)NCC(=O)NCC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is XVTXYOKPXPYWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(12(2,3)4)5-14-11(19)15-6-9(16)13-7-10(17)18/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 83144191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).