(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid

C14H23N3O11 — CID 86566726

IUPAC(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H9NO4.C5H7NO3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t3-;;2-/m0.0/s1
InChIKeyNRJANDRCQFTNRN-AIHBCFCNSA-N
MW409.35 g/mol
LogP-2.51
Rot. Bonds8

About (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid

(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid (PubChem CID 86566726) has the molecular formula C14H23N3O11 and a molecular weight of 409.35 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid
PubChem CID86566726
Molecular FormulaC14H23N3O11
Molecular Weight409.35 g/mol
Exact Mass409.13
IUPAC Name(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H9NO4.C5H7NO3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t3-;;2-/m0.0/s1
InChIKeyNRJANDRCQFTNRN-AIHBCFCNSA-N
XLogP-2.51
TPSA267.64 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.35
LogP ≤ 5-2.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
2-aminobutanedioic acid;2-aminopentanedioic acid;2-aminopropanoic acid
CID 175609716
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
carbamic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 158032480
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid (CID 86566726) is (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid is N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.O=C1CCC(C(=O)O)N1.
What is the InChIKey of (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is NRJANDRCQFTNRN-AIHBCFCNSA-N. The full InChI is InChI=1S/C5H9NO4.C5H7NO3.C4H7NO4/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9;5-2(4(8)9)1-3(6)7/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t3-;;2-/m0.0/s1.
What are the key properties of (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid?
(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 409.35 g/mol, XLogP of -2.51, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).