3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid

C8H16N2O3 — CID 62852267

IUPAC3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CN
InChIInChI=1S/C8H16N2O3/c1-3-10(7(11)4-9)5-6(2)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)
InChIKeyOTAQFGIIIOBOKM-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.49
Rot. Bonds5

About 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid

3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62852267) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
PubChem CID62852267
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CN
InChIInChI=1S/C8H16N2O3/c1-3-10(7(11)4-9)5-6(2)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)
InChIKeyOTAQFGIIIOBOKM-UHFFFAOYSA-N
XLogP-0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633
3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
CID 79012580
3-[ethyl(3-ethylsulfanylpropanoyl)amino]-2-methylpropanoic acid
CID 115731435
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103869271
3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62826480
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid (CID 62852267) is 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CN.
What is the InChIKey of 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is OTAQFGIIIOBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-10(7(11)4-9)5-6(2)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13).
What are the key properties of 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid?
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).