5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid

C8H14N2O4 — CID 62966422

IUPAC5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(3-8(13)14)2-7(12)10-4-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyHSNZVJHHOIOKTP-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.91
Rot. Bonds6

About 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid

5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62966422) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62966422
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(3-8(13)14)2-7(12)10-4-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyHSNZVJHHOIOKTP-UHFFFAOYSA-N
XLogP-0.91
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
strontium;hydride;3-methylpentanedioic acid
CID 173490798

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62966422) is 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC(N)=O.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is HSNZVJHHOIOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(3-8(13)14)2-7(12)10-4-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14).
What are the key properties of 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).