bis(2-aminopropanoyl) butanedioate

C10H16N2O6 — CID 90109701

IUPACbis(2-aminopropanoyl) butanedioate
SMILESCC(N)C(=O)OC(=O)CCC(=O)OC(=O)C(C)N
InChIInChI=1S/C10H16N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h5-6H,3-4,11-12H2,1-2H3
InChIKeyZIELPRAVIDEROB-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.40
Rot. Bonds5

About bis(2-aminopropanoyl) butanedioate

bis(2-aminopropanoyl) butanedioate (PubChem CID 90109701) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is bis(2-aminopropanoyl) butanedioate.

Molecular Properties

Compound Namebis(2-aminopropanoyl) butanedioate
PubChem CID90109701
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Namebis(2-aminopropanoyl) butanedioate
SMILESCC(N)C(=O)OC(=O)CCC(=O)OC(=O)C(C)N
InChIInChI=1S/C10H16N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h5-6H,3-4,11-12H2,1-2H3
InChIKeyZIELPRAVIDEROB-UHFFFAOYSA-N
XLogP-1.40
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
CID 175702847
CID 175702847
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetyl (2R)-2-aminopropanoate
CID 11829476
2-hydroxypropanoyl 4-(2-hydroxypropanoylperoxy)-4-oxobutanoate
CID 154267844
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
(2S)-2-amino-2-[3-[(2S)-2-aminopropanoyl]oxy-3-oxopropyl]icosanoic acid
CID 57305074
bis[(2S)-2-amino-4-hydroxybutanoyl] butanedioate
CID 91277760
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040
bis(2-aminopropanoyl) (Z)-but-2-enedioate
CID 90107936
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605

Frequently Asked Questions

What is the IUPAC name of bis(2-aminopropanoyl) butanedioate?
The IUPAC name of bis(2-aminopropanoyl) butanedioate (CID 90109701) is bis(2-aminopropanoyl) butanedioate.
What is the SMILES notation for bis(2-aminopropanoyl) butanedioate?
The canonical SMILES for bis(2-aminopropanoyl) butanedioate is CC(N)C(=O)OC(=O)CCC(=O)OC(=O)C(C)N.
What is the InChIKey of bis(2-aminopropanoyl) butanedioate?
The InChIKey is ZIELPRAVIDEROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-5(11)9(15)17-7(13)3-4-8(14)18-10(16)6(2)12/h5-6H,3-4,11-12H2,1-2H3.
What are the key properties of bis(2-aminopropanoyl) butanedioate?
bis(2-aminopropanoyl) butanedioate has a molecular weight of 260.25 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminopropanoyl) butanedioate is sourced from PubChem (CID 90109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).