(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid

C7H13NO6 — CID 91155039

IUPAC(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
SMILESN[C@@H](CCC(=O)O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H13NO6/c8-3(1-2-4(9)10)5(11)6(12)7(13)14/h3,5-6,11-12H,1-2,8H2,(H,9,10)(H,13,14)/t3-,5+,6+/m0/s1
InChIKeyCBPNDLTVNOPOQF-OTWZMJIISA-N
MW207.18 g/mol
LogP-2.02
Rot. Bonds6

About (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid

(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid (PubChem CID 91155039) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid.

Molecular Properties

Compound Name(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
PubChem CID91155039
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
SMILESN[C@@H](CCC(=O)O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H13NO6/c8-3(1-2-4(9)10)5(11)6(12)7(13)14/h3,5-6,11-12H,1-2,8H2,(H,9,10)(H,13,14)/t3-,5+,6+/m0/s1
InChIKeyCBPNDLTVNOPOQF-OTWZMJIISA-N
XLogP-2.02
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-hydroxy-6-methylheptanoic acid
CID 91339915
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
2-aminopentanedioic acid
CID 611
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid?
The IUPAC name of (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid (CID 91155039) is (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid.
What is the SMILES notation for (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid?
The canonical SMILES for (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid is N[C@@H](CCC(=O)O)[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid?
The InChIKey is CBPNDLTVNOPOQF-OTWZMJIISA-N. The full InChI is InChI=1S/C7H13NO6/c8-3(1-2-4(9)10)5(11)6(12)7(13)14/h3,5-6,11-12H,1-2,8H2,(H,9,10)(H,13,14)/t3-,5+,6+/m0/s1.
What are the key properties of (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid?
(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid has a molecular weight of 207.18 g/mol, XLogP of -2.02, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid is sourced from PubChem (CID 91155039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).