(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid

C10H17NO6 — CID 90258666

IUPAC(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
SMILESCCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-2-6(12)5-8(13)11-7(10(16)17)3-4-9(14)15/h6-7,12H,2-5H2,1H3,(H,11,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1
InChIKeyIQVWIKOIJUXHND-MLWJPKLSSA-N
MW247.25 g/mol
LogP-0.42
Rot. Bonds8

About (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid

(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid (PubChem CID 90258666) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
PubChem CID90258666
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
SMILESCCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-2-6(12)5-8(13)11-7(10(16)17)3-4-9(14)15/h6-7,12H,2-5H2,1H3,(H,11,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1
InChIKeyIQVWIKOIJUXHND-MLWJPKLSSA-N
XLogP-0.42
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyoctanoylamino)pentanedioic acid
CID 90258173
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-(3-fluorohexanoylamino)pentanedioic acid
CID 101278167
(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid
CID 101278177
(2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]pentanedioic acid
CID 87795061
hexadecan-7-ol;(2S)-2-(hexadecanoylamino)pentanedioic acid
CID 175883903
2-[(3-hydroxy-3-methylbutanoyl)amino]pentanedioic acid
CID 90258530
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(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-(3-methyldodecanoylamino)pentanedioic acid
CID 90258202
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid (CID 90258666) is (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid is CCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid?
The InChIKey is IQVWIKOIJUXHND-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H17NO6/c1-2-6(12)5-8(13)11-7(10(16)17)3-4-9(14)15/h6-7,12H,2-5H2,1H3,(H,11,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid?
(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of -0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxypentanoylamino)pentanedioic acid is sourced from PubChem (CID 90258666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).