2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid

C10H19N3O4 — CID 65224439

IUPAC2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)7(10(16)17)4-12-9(15)5-13-8(14)3-11/h6-7H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRFKPRABGBOMYQG-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.47
Rot. Bonds7

About 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid

2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65224439) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65224439
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(2)7(10(16)17)4-12-9(15)5-13-8(14)3-11/h6-7H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRFKPRABGBOMYQG-UHFFFAOYSA-N
XLogP-1.47
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18487868
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 6992871

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid (CID 65224439) is 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)CNC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is RFKPRABGBOMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(2)7(10(16)17)4-12-9(15)5-13-8(14)3-11/h6-7H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid?
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65224439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).