2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid

C9H18N2O3 — CID 115430301

IUPAC2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-9(4-2,8(13)14)6-11-7(12)5-10/h3-6,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyNGVYBPUJSUMLAL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds6

About 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid

2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430301) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115430301
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CN)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-9(4-2,8(13)14)6-11-7(12)5-10/h3-6,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyNGVYBPUJSUMLAL-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430292
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
2-[[(2-tert-butylsulfonylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 120533434
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 113308619
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-2-ethylbutanoic acid
CID 83112363
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid
CID 115429627
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid (CID 115430301) is 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is NGVYBPUJSUMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-9(4-2,8(13)14)6-11-7(12)5-10/h3-6,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).