(2R)-2-aminopentanedioic acid;hydrate

C5H11NO5 — CID 87451212

IUPAC(2R)-2-aminopentanedioic acid;hydrate
SMILESN[C@H](CCC(=O)O)C(=O)O.O
InChIInChI=1S/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1
InChIKeyOZDAOHVKBFBBMZ-AENDTGMFSA-N
MW165.14 g/mol
LogP-1.56
Rot. Bonds4

About (2R)-2-aminopentanedioic acid;hydrate

(2R)-2-aminopentanedioic acid;hydrate (PubChem CID 87451212) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is (2R)-2-aminopentanedioic acid;hydrate.

Molecular Properties

Compound Name(2R)-2-aminopentanedioic acid;hydrate
PubChem CID87451212
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(2R)-2-aminopentanedioic acid;hydrate
SMILESN[C@H](CCC(=O)O)C(=O)O.O
InChIInChI=1S/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1
InChIKeyOZDAOHVKBFBBMZ-AENDTGMFSA-N
XLogP-1.56
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
CID 87237505
CID 87237505
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
potassium;2-aminopentanedioic acid;hydride
CID 173070457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopentanedioic acid;hydrate?
The IUPAC name of (2R)-2-aminopentanedioic acid;hydrate (CID 87451212) is (2R)-2-aminopentanedioic acid;hydrate.
What is the SMILES notation for (2R)-2-aminopentanedioic acid;hydrate?
The canonical SMILES for (2R)-2-aminopentanedioic acid;hydrate is N[C@H](CCC(=O)O)C(=O)O.O.
What is the InChIKey of (2R)-2-aminopentanedioic acid;hydrate?
The InChIKey is OZDAOHVKBFBBMZ-AENDTGMFSA-N. The full InChI is InChI=1S/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/t3-;/m1./s1.
What are the key properties of (2R)-2-aminopentanedioic acid;hydrate?
(2R)-2-aminopentanedioic acid;hydrate has a molecular weight of 165.14 g/mol, XLogP of -1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopentanedioic acid;hydrate is sourced from PubChem (CID 87451212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).