5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid

C8H13N3O5 — CID 28931731

IUPAC5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C8H13N3O5/c9-5(12)4-10-8(16)11-6(13)2-1-3-7(14)15/h1-4H2,(H2,9,12)(H,14,15)(H2,10,11,13,16)
InChIKeyZENAEAKXHNGCAD-UHFFFAOYSA-N
MW231.21 g/mol
LogP-1.45
Rot. Bonds6

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

5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931731) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931731
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C8H13N3O5/c9-5(12)4-10-8(16)11-6(13)2-1-3-7(14)15/h1-4H2,(H2,9,12)(H,14,15)(H2,10,11,13,16)
InChIKeyZENAEAKXHNGCAD-UHFFFAOYSA-N
XLogP-1.45
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
5-(carbamothioylamino)-5-oxopentanoic acid
CID 87759083
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 113287624
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
CID 63958104
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
CID 87067075
CID 87067075
5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 170048209
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
CID 28931577

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid (CID 28931731) is 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid is NC(=O)CNC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ZENAEAKXHNGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5/c9-5(12)4-10-8(16)11-6(13)2-1-3-7(14)15/h1-4H2,(H2,9,12)(H,14,15)(H2,10,11,13,16).
What are the key properties of 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid?
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 231.21 g/mol, XLogP of -1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).