(2S)-2-aminopentanedioic acid;hydrobromide

C5H10BrNO4 — CID 87753976

IUPAC(2S)-2-aminopentanedioic acid;hydrobromide
SMILESBr.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.BrH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChIKeyRMBXYRWTILMOKO-DFWYDOINSA-N
MW228.04 g/mol
LogP-0.16
Rot. Bonds4

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

(2S)-2-aminopentanedioic acid;hydrobromide (PubChem CID 87753976) has the molecular formula C5H10BrNO4 and a molecular weight of 228.04 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;hydrobromide.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;hydrobromide
PubChem CID87753976
Molecular FormulaC5H10BrNO4
Molecular Weight228.04 g/mol
Exact Mass226.98
IUPAC Name(2S)-2-aminopentanedioic acid;hydrobromide
SMILESBr.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.BrH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
InChIKeyRMBXYRWTILMOKO-DFWYDOINSA-N
XLogP-0.16
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 5-0.16
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
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(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
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;hydrobromide?
The IUPAC name of (2S)-2-aminopentanedioic acid;hydrobromide (CID 87753976) is (2S)-2-aminopentanedioic acid;hydrobromide.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;hydrobromide?
The canonical SMILES for (2S)-2-aminopentanedioic acid;hydrobromide is Br.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;hydrobromide?
The InChIKey is RMBXYRWTILMOKO-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.BrH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;hydrobromide?
(2S)-2-aminopentanedioic acid;hydrobromide has a molecular weight of 228.04 g/mol, XLogP of -0.16, 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;hydrobromide is sourced from PubChem (CID 87753976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).