CID 87237505

C5H11KNO5 — CID 87237505

IUPAC—
SMILESNC(CCC(=O)O)C(=O)O.O.[K]
InChIInChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2
InChIKeyVMWJTBYKMYBHOC-UHFFFAOYSA-N
MW204.24 g/mol
LogP-1.94
Rot. Bonds4

About CID 87237505

CID 87237505 (PubChem CID 87237505) has the molecular formula C5H11KNO5 and a molecular weight of 204.24 g/mol.

Molecular Properties

Compound NameCID 87237505
PubChem CID87237505
Molecular FormulaC5H11KNO5
Molecular Weight204.24 g/mol
Exact Mass204.03
IUPAC Name—
SMILESNC(CCC(=O)O)C(=O)O.O.[K]
InChIInChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2
InChIKeyVMWJTBYKMYBHOC-UHFFFAOYSA-N
XLogP-1.94
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
(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;hydrobromide
CID 87753976
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244

Frequently Asked Questions

What is the IUPAC name of CID 87237505?
The IUPAC name of CID 87237505 (CID 87237505) is not available.
What is the SMILES notation for CID 87237505?
The canonical SMILES for CID 87237505 is NC(CCC(=O)O)C(=O)O.O.[K].
What is the InChIKey of CID 87237505?
The InChIKey is VMWJTBYKMYBHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2.
What are the key properties of CID 87237505?
CID 87237505 has a molecular weight of 204.24 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87237505 is sourced from PubChem (CID 87237505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).