2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid

C10H20N2O4 — CID 103224684

IUPAC2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C10H20N2O4/c1-7(2)4-12(5-9(11)13)8(6-16-3)10(14)15/h7-8H,4-6H2,1-3H3,(H2,11,13)(H,14,15)
InChIKeyUMKOPKNKMAZFRO-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.47
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid (PubChem CID 103224684) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
PubChem CID103224684
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C10H20N2O4/c1-7(2)4-12(5-9(11)13)8(6-16-3)10(14)15/h7-8H,4-6H2,1-3H3,(H2,11,13)(H,14,15)
InChIKeyUMKOPKNKMAZFRO-UHFFFAOYSA-N
XLogP-0.47
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
2-[2-cyanoethyl(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224696
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
CID 62213823
3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 103224693
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188
2-[2-methoxyethyl(2-methylpropyl)amino]propanamide
CID 62901426
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methoxypropanoic acid
CID 103224639
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
3-methoxy-2-[methyl(2-methylpropyl)amino]propanehydrazide
CID 103229498
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid (CID 103224684) is 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid is COCC(C(=O)O)N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid?
The InChIKey is UMKOPKNKMAZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(2)4-12(5-9(11)13)8(6-16-3)10(14)15/h7-8H,4-6H2,1-3H3,(H2,11,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid?
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).