(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid

C8H14N2O7 — CID 159876263

IUPAC(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C5H10N2O3.C3H4O4/c6-3(5(9)10)1-2-4(7)8;4-2(5)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H2,(H,4,5)(H,6,7)/t3-;/m0./s1
InChIKeyNSYDDTSUXNLUFT-DFWYDOINSA-N
MW250.21 g/mol
LogP-1.79
Rot. Bonds6

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

(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid (PubChem CID 159876263) has the molecular formula C8H14N2O7 and a molecular weight of 250.21 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
PubChem CID159876263
Molecular FormulaC8H14N2O7
Molecular Weight250.21 g/mol
Exact Mass250.08
IUPAC Name(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C5H10N2O3.C3H4O4/c6-3(5(9)10)1-2-4(7)8;4-2(5)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H2,(H,4,5)(H,6,7)/t3-;/m0./s1
InChIKeyNSYDDTSUXNLUFT-DFWYDOINSA-N
XLogP-1.79
TPSA181.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2-aminobutanedioic acid;2,5-diamino-5-oxopentanoic acid
CID 19775744

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid?
The IUPAC name of (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid (CID 159876263) is (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid.
What is the SMILES notation for (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid?
The canonical SMILES for (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid is NC(=O)CC[C@H](N)C(=O)O.O=C(O)CC(=O)O.
What is the InChIKey of (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid?
The InChIKey is NSYDDTSUXNLUFT-DFWYDOINSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H4O4/c6-3(5(9)10)1-2-4(7)8;4-2(5)1-3(6)7/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H2,(H,4,5)(H,6,7)/t3-;/m0./s1.
What are the key properties of (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid?
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid has a molecular weight of 250.21 g/mol, XLogP of -1.79, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid is sourced from PubChem (CID 159876263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).