2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid

C10H19N3O4 — CID 107440295

IUPAC2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)3-12-9(15)5-13(4-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyORFIAKTWXDIXKN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.37
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 107440295) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
PubChem CID107440295
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)3-12-9(15)5-13(4-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyORFIAKTWXDIXKN-UHFFFAOYSA-N
XLogP-1.37
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107440755
2-[(2-amino-2-oxoethyl)-[2-(2-cyanoethylamino)-2-oxoethyl]amino]acetic acid
CID 107440643
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 107440146
2-[(2-amino-2-oxoethyl)-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetic acid
CID 107440194
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327324
2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262438
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid (CID 107440295) is 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid is CC(C)CNC(=O)CN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is ORFIAKTWXDIXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)3-12-9(15)5-13(4-8(11)14)6-10(16)17/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.37, 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)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107440295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).