(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid

C8H17N3O5 — CID 18640660

IUPAC(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
SMILESC[C@H](N)C(=O)O.NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(7)10)1-2-4(8)9;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,10)(H,8,9);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1
InChIKeyMWTAHJPEYZBMCZ-BHFSHLQUSA-N
MW235.24 g/mol
LogP-1.92
Rot. Bonds5

About (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid

(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid (PubChem CID 18640660) has the molecular formula C8H17N3O5 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
PubChem CID18640660
Molecular FormulaC8H17N3O5
Molecular Weight235.24 g/mol
Exact Mass235.12
IUPAC Name(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
SMILESC[C@H](N)C(=O)O.NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(7)10)1-2-4(8)9;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,10)(H,8,9);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1
InChIKeyMWTAHJPEYZBMCZ-BHFSHLQUSA-N
XLogP-1.92
TPSA169.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
CID 175609716
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid (CID 18640660) is (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid is C[C@H](N)C(=O)O.NC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid?
The InChIKey is MWTAHJPEYZBMCZ-BHFSHLQUSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H7NO2/c6-3(5(7)10)1-2-4(8)9;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,10)(H,8,9);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1.
What are the key properties of (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid?
(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid has a molecular weight of 235.24 g/mol, XLogP of -1.92, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 18640660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).