(2S)-2-aminopentanedioic acid;benzene

C11H15NO4 — CID 161035359

IUPAC(2S)-2-aminopentanedioic acid;benzene
SMILESN[C@@H](CCC(=O)O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO4/c1-2-4-6-5-3-1;6-3(5(9)10)1-2-4(7)8/h1-6H;3H,1-2,6H2,(H,7,8)(H,9,10)/t;3-/m.0/s1
InChIKeyUAEIJIAEHYADMN-HVDRVSQOSA-N
MW225.24 g/mol
LogP0.95
Rot. Bonds4

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

(2S)-2-aminopentanedioic acid;benzene (PubChem CID 161035359) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;benzene.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;benzene
PubChem CID161035359
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-2-aminopentanedioic acid;benzene
SMILESN[C@@H](CCC(=O)O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H9NO4/c1-2-4-6-5-3-1;6-3(5(9)10)1-2-4(7)8/h1-6H;3H,1-2,6H2,(H,7,8)(H,9,10)/t;3-/m.0/s1
InChIKeyUAEIJIAEHYADMN-HVDRVSQOSA-N
XLogP0.95
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
2-aminopentanedioic acid;ethene
CID 134284547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;benzene?
The IUPAC name of (2S)-2-aminopentanedioic acid;benzene (CID 161035359) is (2S)-2-aminopentanedioic acid;benzene.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;benzene?
The canonical SMILES for (2S)-2-aminopentanedioic acid;benzene is N[C@@H](CCC(=O)O)C(=O)O.c1ccccc1.
What is the InChIKey of (2S)-2-aminopentanedioic acid;benzene?
The InChIKey is UAEIJIAEHYADMN-HVDRVSQOSA-N. The full InChI is InChI=1S/C6H6.C5H9NO4/c1-2-4-6-5-3-1;6-3(5(9)10)1-2-4(7)8/h1-6H;3H,1-2,6H2,(H,7,8)(H,9,10)/t;3-/m.0/s1.
What are the key properties of (2S)-2-aminopentanedioic acid;benzene?
(2S)-2-aminopentanedioic acid;benzene has a molecular weight of 225.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;benzene is sourced from PubChem (CID 161035359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).