2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid

C10H18N4O5 — CID 18218968

IUPAC2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-4(8(16)14-5(2)10(18)19)13-9(17)6(11)3-7(12)15/h4-6H,3,11H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
InChIKeyYNDLOUMBVDVALC-UHFFFAOYSA-N
MW274.28 g/mol
LogP-2.72
Rot. Bonds7

About 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid

2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid (PubChem CID 18218968) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
PubChem CID18218968
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-4(8(16)14-5(2)10(18)19)13-9(17)6(11)3-7(12)15/h4-6H,3,11H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
InChIKeyYNDLOUMBVDVALC-UHFFFAOYSA-N
XLogP-2.72
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 22652083
2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 22652915
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 100999882
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 101266612
4-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-3-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoic acid
CID 22653335
4-amino-2-[[4-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 22652123
4-amino-2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 22652378
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid
CID 18218972
4-amino-2-[2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 22653277
2-[[5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 22654593
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 22652412

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid (CID 18218968) is 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid is CC(NC(=O)C(C)NC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid?
The InChIKey is YNDLOUMBVDVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-4(8(16)14-5(2)10(18)19)13-9(17)6(11)3-7(12)15/h4-6H,3,11H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19).
What are the key properties of 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid?
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of -2.72, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid is sourced from PubChem (CID 18218968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).