bis(2-aminopropanoyl) (Z)-but-2-enedioate

C10H14N2O6 — CID 90107936

IUPACbis(2-aminopropanoyl) (Z)-but-2-enedioate
SMILESCC(N)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(C)N
InChIInChI=1S/C10H14N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h3-6H,11-12H2,1-2H3/b4-3-
InChIKeyRCGMONFKCNPUOT-ARJAWSKDSA-N
MW258.23 g/mol
LogP-1.62
Rot. Bonds4

About bis(2-aminopropanoyl) (Z)-but-2-enedioate

bis(2-aminopropanoyl) (Z)-but-2-enedioate (PubChem CID 90107936) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is bis(2-aminopropanoyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(2-aminopropanoyl) (Z)-but-2-enedioate
PubChem CID90107936
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Namebis(2-aminopropanoyl) (Z)-but-2-enedioate
SMILESCC(N)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(C)N
InChIInChI=1S/C10H14N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h3-6H,11-12H2,1-2H3/b4-3-
InChIKeyRCGMONFKCNPUOT-ARJAWSKDSA-N
XLogP-1.62
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542
acetyl (2R)-2-aminopropanoate
CID 11829476
carbamoyl (2R)-2-aminopropanoate
CID 139238224
bis(2-aminopropanoyl) butanedioate
CID 90109701
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid
CID 175355038
methyl 2-aminopropanoate
CID 159707893
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
1-O-[(2S)-2-amino-3-methylbutanoyl] 4-O-pyrrolidin-1-yl (E)-but-2-enedioate
CID 87754057
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040

Frequently Asked Questions

What is the IUPAC name of bis(2-aminopropanoyl) (Z)-but-2-enedioate?
The IUPAC name of bis(2-aminopropanoyl) (Z)-but-2-enedioate (CID 90107936) is bis(2-aminopropanoyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(2-aminopropanoyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(2-aminopropanoyl) (Z)-but-2-enedioate is CC(N)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(C)N.
What is the InChIKey of bis(2-aminopropanoyl) (Z)-but-2-enedioate?
The InChIKey is RCGMONFKCNPUOT-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h3-6H,11-12H2,1-2H3/b4-3-.
What are the key properties of bis(2-aminopropanoyl) (Z)-but-2-enedioate?
bis(2-aminopropanoyl) (Z)-but-2-enedioate has a molecular weight of 258.23 g/mol, XLogP of -1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminopropanoyl) (Z)-but-2-enedioate is sourced from PubChem (CID 90107936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).