2-(propanoylamino)pentanedioic acid

C8H13NO5 — CID 10436353

IUPAC2-(propanoylamino)pentanedioic acid
SMILESCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyDKKGGIHZVKOAPK-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.17
Rot. Bonds6

About 2-(propanoylamino)pentanedioic acid

2-(propanoylamino)pentanedioic acid (PubChem CID 10436353) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(propanoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(propanoylamino)pentanedioic acid
PubChem CID10436353
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(propanoylamino)pentanedioic acid
SMILESCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyDKKGGIHZVKOAPK-UHFFFAOYSA-N
XLogP-0.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-(propanoylamino)butanoyl]amino]-5,5-dihydroxypentanoyl]amino]butanoyl]amino]-5,5-dihydroxypentanoic acid
CID 155324966
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-[(2-ethoxyacetyl)amino]pentanedioic acid
CID 60831138
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
CID 90258666
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propanoylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 146551121

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)pentanedioic acid?
The IUPAC name of 2-(propanoylamino)pentanedioic acid (CID 10436353) is 2-(propanoylamino)pentanedioic acid.
What is the SMILES notation for 2-(propanoylamino)pentanedioic acid?
The canonical SMILES for 2-(propanoylamino)pentanedioic acid is CCC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(propanoylamino)pentanedioic acid?
The InChIKey is DKKGGIHZVKOAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(propanoylamino)pentanedioic acid?
2-(propanoylamino)pentanedioic acid has a molecular weight of 203.19 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)pentanedioic acid is sourced from PubChem (CID 10436353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).