4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid

C13H22N4O6 — CID 146213659

IUPAC4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid
SMILESCC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H22N4O6/c1-7(3-4-12(21)22)16-11(20)6-15-13(23)9(5-10(14)19)17-8(2)18/h7,9H,3-6H2,1-2H3,(H2,14,19)(H,15,23)(H,16,20)(H,17,18)(H,21,22)
InChIKeyOUSSQPMBSLEQSR-UHFFFAOYSA-N
MW330.34 g/mol
LogP-2.15
Rot. Bonds10

About 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid

4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid (PubChem CID 146213659) has the molecular formula C13H22N4O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid
PubChem CID146213659
Molecular FormulaC13H22N4O6
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC Name4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid
SMILESCC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H22N4O6/c1-7(3-4-12(21)22)16-11(20)6-15-13(23)9(5-10(14)19)17-8(2)18/h7,9H,3-6H2,1-2H3,(H2,14,19)(H,15,23)(H,16,20)(H,17,18)(H,21,22)
InChIKeyOUSSQPMBSLEQSR-UHFFFAOYSA-N
XLogP-2.15
TPSA167.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18233519
2-[[4-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18235414
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18485681
(4S)-4-amino-5-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 145455375
5-[[4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-4-(2-aminopropanoylamino)-5-oxopentanoic acid
CID 18234620
2-[[2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 18263401
(2S)-2-acetamido-N-(2-sulfanylprop-2-enyl)butanediamide
CID 146019225
2-acetamido-5-(diaminomethylideneamino)-N-[2-[5-(diaminomethylideneamino)pentan-2-ylamino]-2-oxoethyl]pentanamide
CID 134188384
4-amino-5-[[1-[[2-[(3-amino-1-carboxy-3-oxopropyl)amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 18264189
2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
CID 18218293
(2S)-2-[[2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]butanedioic acid
CID 175735291

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid (CID 146213659) is 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid is CC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is OUSSQPMBSLEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O6/c1-7(3-4-12(21)22)16-11(20)6-15-13(23)9(5-10(14)19)17-8(2)18/h7,9H,3-6H2,1-2H3,(H2,14,19)(H,15,23)(H,16,20)(H,17,18)(H,21,22).
What are the key properties of 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid?
4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 330.34 g/mol, XLogP of -2.15, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 146213659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).