2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid

C9H16N4O5 — CID 18218293

IUPAC2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
SMILESCC(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C9H16N4O5/c1-4(10)8(17)13-5(2-6(11)14)9(18)12-3-7(15)16/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,18)(H,13,17)(H,15,16)
InChIKeyCVGNCMIULZNYES-UHFFFAOYSA-N
MW260.25 g/mol
LogP-3.11
Rot. Bonds7

About 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid

2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid (PubChem CID 18218293) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
PubChem CID18218293
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
SMILESCC(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C9H16N4O5/c1-4(10)8(17)13-5(2-6(11)14)9(18)12-3-7(15)16/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,18)(H,13,17)(H,15,16)
InChIKeyCVGNCMIULZNYES-UHFFFAOYSA-N
XLogP-3.11
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 18233461
2-[[4-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18236598
5-[[4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-4-(2-aminopropanoylamino)-5-oxopentanoic acid
CID 18234620
2-[[4-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18235414
2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]acetic acid
CID 18219014
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]acetic acid
CID 18233561
2-[[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 145456357
3-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18745962
2-[[4-amino-2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 18745144
4-[[4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-3-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoic acid
CID 22653322
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18233519
4-amino-2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid
CID 18233436

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid (CID 18218293) is 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid is CC(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid?
The InChIKey is CVGNCMIULZNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-4(10)8(17)13-5(2-6(11)14)9(18)12-3-7(15)16/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,18)(H,13,17)(H,15,16).
What are the key properties of 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid?
2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -3.11, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 18218293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).