2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid

C11H20N4O5 — CID 107438233

IUPAC2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
SMILESCCCNC(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N4O5/c1-3-4-13-9(17)6-14(2)11(20)15(5-8(12)16)7-10(18)19/h3-7H2,1-2H3,(H2,12,16)(H,13,17)(H,18,19)
InChIKeyFGTQRSRZHISCFT-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.56
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid (PubChem CID 107438233) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
PubChem CID107438233
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
SMILESCCCNC(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N4O5/c1-3-4-13-9(17)6-14(2)11(20)15(5-8(12)16)7-10(18)19/h3-7H2,1-2H3,(H2,12,16)(H,13,17)(H,18,19)
InChIKeyFGTQRSRZHISCFT-UHFFFAOYSA-N
XLogP-1.56
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
2-[(2-amino-2-oxoethyl)-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetic acid
CID 107440194
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[(2-amino-2-oxoethyl)-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 107439170
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
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)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid (CID 107438233) is 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid is CCCNC(=O)CN(C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The InChIKey is FGTQRSRZHISCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-3-4-13-9(17)6-14(2)11(20)15(5-8(12)16)7-10(18)19/h3-7H2,1-2H3,(H2,12,16)(H,13,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -1.56, 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)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).