2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid

C10H18N2O4 — CID 65215296

IUPAC2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(=O)NCC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6(2)8(10(15)16)4-12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyUEYFFHKAAJZPDJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.40
Rot. Bonds6

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

2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65215296) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65215296
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(=O)NCC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6(2)8(10(15)16)4-12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyUEYFFHKAAJZPDJ-UHFFFAOYSA-N
XLogP-0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
3-methyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 65219891
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
3-methyl-2-[(octanoylamino)methyl]butanoic acid
CID 65215548
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid (CID 65215296) is 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid is CC(=O)NCC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is UEYFFHKAAJZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)8(10(15)16)4-12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid?
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65215296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).