(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid

C10H19NO8 — CID 54012869

IUPAC(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(O)C(O)C(O)CO)C(=O)O
InChIInChI=1S/C10H19NO8/c12-4-7(14)9(17)6(13)3-11-5(10(18)19)1-2-8(15)16/h5-7,9,11-14,17H,1-4H2,(H,15,16)(H,18,19)/t5-,6?,7?,9?/m0/s1
InChIKeyKTPDUZBTLPERAV-AJTLONOZSA-N
MW281.26 g/mol
LogP-3.03
Rot. Bonds10

About (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid

(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid (PubChem CID 54012869) has the molecular formula C10H19NO8 and a molecular weight of 281.26 g/mol. Its IUPAC name is (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid
PubChem CID54012869
Molecular FormulaC10H19NO8
Molecular Weight281.26 g/mol
Exact Mass281.11
IUPAC Name(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(O)C(O)C(O)CO)C(=O)O
InChIInChI=1S/C10H19NO8/c12-4-7(14)9(17)6(13)3-11-5(10(18)19)1-2-8(15)16/h5-7,9,11-14,17H,1-4H2,(H,15,16)(H,18,19)/t5-,6?,7?,9?/m0/s1
InChIKeyKTPDUZBTLPERAV-AJTLONOZSA-N
XLogP-3.03
TPSA167.55 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.26
LogP ≤ 5-3.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanedioic acid
CID 21120733
(2S)-5-amino-5-oxo-2-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CID 102123541
3-hydroxy-2-(2,3,4,5,6-pentahydroxyhexylamino)propanoic acid
CID 21427717
(2S)-4-amino-4-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]butanoic acid
CID 102123543
4,5,6,7,8-pentahydroxyoctanoic acid
CID 87558664
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
CID 129095324
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
butanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 87746367
4-[[1-carboxy-3-(carboxymethylamino)propyl]amino]-2,3-dihydroxybutanoic acid
CID 163076957
(2S)-2-[[(1R,2S)-1-hydroxy-2-methyl-5-oxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentyl]amino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CID 91597502

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid (CID 54012869) is (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid is O=C(O)CC[C@H](NCC(O)C(O)C(O)CO)C(=O)O.
What is the InChIKey of (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid?
The InChIKey is KTPDUZBTLPERAV-AJTLONOZSA-N. The full InChI is InChI=1S/C10H19NO8/c12-4-7(14)9(17)6(13)3-11-5(10(18)19)1-2-8(15)16/h5-7,9,11-14,17H,1-4H2,(H,15,16)(H,18,19)/t5-,6?,7?,9?/m0/s1.
What are the key properties of (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid?
(2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid has a molecular weight of 281.26 g/mol, XLogP of -3.03, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3,4,5-tetrahydroxypentylamino)pentanedioic acid is sourced from PubChem (CID 54012869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).