2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid

C12H22N4O5 — CID 107438237

IUPAC2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O5/c1-4-15(5-2)10(18)7-14(3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20)
InChIKeySELNYDNDPNXRPP-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.22
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid (PubChem CID 107438237) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
PubChem CID107438237
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O5/c1-4-15(5-2)10(18)7-14(3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20)
InChIKeySELNYDNDPNXRPP-UHFFFAOYSA-N
XLogP-1.22
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
CID 107438233
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 107439170
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
CID 107438398
2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
CID 107438458

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid (CID 107438237) is 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid is CCN(CC)C(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The InChIKey is SELNYDNDPNXRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-4-15(5-2)10(18)7-14(3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of -1.22, 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-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).