2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid

C12H23N3O4 — CID 107440476

IUPAC2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)(C)NC(=O)C(C)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-12(3,4)14-11(19)8(2)15(6-9(13)16)7-10(17)18/h8H,5-7H2,1-4H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyKIUZQVWNWZFARK-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.45
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 107440476) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID107440476
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCC(C)(C)NC(=O)C(C)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-12(3,4)14-11(19)8(2)15(6-9(13)16)7-10(17)18/h8H,5-7H2,1-4H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyKIUZQVWNWZFARK-UHFFFAOYSA-N
XLogP-0.45
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79273911
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
3-[methyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911897
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 107440476) is 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid is CCC(C)(C)NC(=O)C(C)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is KIUZQVWNWZFARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-12(3,4)14-11(19)8(2)15(6-9(13)16)7-10(17)18/h8H,5-7H2,1-4H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of -0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 107440476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).