3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid

C10H20N2O3 — CID 82326800

IUPAC3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid
SMILESCC(CN(CC(N)=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(9(14)15)5-12(6-8(11)13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,14,15)
InChIKeyKFEVPHBWOZAYRR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.29
Rot. Bonds5

About 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid

3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid (PubChem CID 82326800) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid
PubChem CID82326800
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid
SMILESCC(CN(CC(N)=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(9(14)15)5-12(6-8(11)13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,14,15)
InChIKeyKFEVPHBWOZAYRR-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-tert-butylamino]propanoic acid
CID 79805441
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-ethylamino]-2-methylpropanoic acid
CID 79811895
2-[[(2-Amino-2-oxoethyl)-propan-2-ylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 80995904
2-[[(2-Amino-2-oxoethyl)-butylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996114
2-[[(2-Amino-2-oxoethyl)-(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996115
2-[[(2-Amino-2-oxoethyl)-methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997399
2-[[(2-Amino-2-oxoethyl)-ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 103102923
2-[[(1-Amino-2-methyl-1-oxopropan-2-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103243004
2-[[[2-(Tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103260237
3-[[2-(Dimethylamino)acetyl]amino]-2-methylpropanoic acid
CID 15009970
3-[[2-[2-Methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid
CID 23588175
(2S)-2-[acetyl(methyl)amino]-2-methyl-3-(methylamino)propanoic acid
CID 54541080

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid (CID 82326800) is 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid is CC(CN(CC(N)=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid?
The InChIKey is KFEVPHBWOZAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(9(14)15)5-12(6-8(11)13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,14,15).
What are the key properties of 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid?
3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82326800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).