(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid

C10H15NO8 — CID 118513954

IUPAC(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C5H6O4/c6-3(5(9)10)1-2-4(7)8;1-3(5(8)9)2-4(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2,(H,6,7)(H,8,9)/t3-;/m0./s1
InChIKeyBQRIIVNRBQNSCD-DFWYDOINSA-N
MW277.23 g/mol
LogP-0.63
Rot. Bonds7

About (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid

(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid (PubChem CID 118513954) has the molecular formula C10H15NO8 and a molecular weight of 277.23 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid
PubChem CID118513954
Molecular FormulaC10H15NO8
Molecular Weight277.23 g/mol
Exact Mass277.08
IUPAC Name(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C5H6O4/c6-3(5(9)10)1-2-4(7)8;1-3(5(8)9)2-4(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2,(H,6,7)(H,8,9)/t3-;/m0./s1
InChIKeyBQRIIVNRBQNSCD-DFWYDOINSA-N
XLogP-0.63
TPSA175.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-aminopentanedioic acid;ethene
CID 134284547
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(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
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid?
The IUPAC name of (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid (CID 118513954) is (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid?
The canonical SMILES for (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid is C=C(CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid?
The InChIKey is BQRIIVNRBQNSCD-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C5H6O4/c6-3(5(9)10)1-2-4(7)8;1-3(5(8)9)2-4(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2,(H,6,7)(H,8,9)/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid?
(2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid has a molecular weight of 277.23 g/mol, XLogP of -0.63, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;2-methylidenebutanedioic acid is sourced from PubChem (CID 118513954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).