2-[(2-aminoacetyl)amino]-2-methylpentanoic acid

C8H16N2O3 — CID 61159879

IUPAC2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-8(2,7(12)13)10-6(11)5-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyASDVUCFRGFLYAO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid

2-[(2-aminoacetyl)amino]-2-methylpentanoic acid (PubChem CID 61159879) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
PubChem CID61159879
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-8(2,7(12)13)10-6(11)5-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyASDVUCFRGFLYAO-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
CID 79473096
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
CID 81172480
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid (CID 61159879) is 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)CN)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid?
The InChIKey is ASDVUCFRGFLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-8(2,7(12)13)10-6(11)5-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid?
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 61159879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).