2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid

C12H22N4O7 — CID 23191188

IUPAC2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(N)=O)C(=O)O.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C7H12N2O4.C5H10N2O3/c1-4(10)9-5(7(12)13)2-3-6(8)11;6-3(5(9)10)1-2-4(7)8/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyARXVCXKTEPNYMB-UHFFFAOYSA-N
MW334.33 g/mol
LogP-2.49
Rot. Bonds9

About 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid

2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid (PubChem CID 23191188) has the molecular formula C12H22N4O7 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
PubChem CID23191188
Molecular FormulaC12H22N4O7
Molecular Weight334.33 g/mol
Exact Mass334.15
IUPAC Name2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(N)=O)C(=O)O.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C7H12N2O4.C5H10N2O3/c1-4(10)9-5(7(12)13)2-3-6(8)11;6-3(5(9)10)1-2-4(7)8/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyARXVCXKTEPNYMB-UHFFFAOYSA-N
XLogP-2.49
TPSA215.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.33
LogP ≤ 5-2.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
2-[(2-acetamido-3-carboxypropanoyl)amino]-5-amino-5-oxopentanoic acid
CID 73073678
(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-amino-5-oxopentanoic acid
CID 11722500
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid (CID 23191188) is 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid is CC(=O)NC(CCC(N)=O)C(=O)O.NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid?
The InChIKey is ARXVCXKTEPNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4.C5H10N2O3/c1-4(10)9-5(7(12)13)2-3-6(8)11;6-3(5(9)10)1-2-4(7)8/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);3H,1-2,6H2,(H2,7,8)(H,9,10).
What are the key properties of 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid?
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid has a molecular weight of 334.33 g/mol, XLogP of -2.49, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 23191188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).