bis(cyclopropylamino) butanedioate

C10H16N2O4 — CID 174889367

IUPACbis(cyclopropylamino) butanedioate
SMILESO=C(CCC(=O)ONC1CC1)ONC1CC1
InChIInChI=1S/C10H16N2O4/c13-9(15-11-7-1-2-7)5-6-10(14)16-12-8-3-4-8/h7-8,11-12H,1-6H2
InChIKeyNNZFPEVBGOBFBU-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.19
Rot. Bonds7

About bis(cyclopropylamino) butanedioate

bis(cyclopropylamino) butanedioate (PubChem CID 174889367) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is bis(cyclopropylamino) butanedioate.

Molecular Properties

Compound Namebis(cyclopropylamino) butanedioate
PubChem CID174889367
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namebis(cyclopropylamino) butanedioate
SMILESO=C(CCC(=O)ONC1CC1)ONC1CC1
InChIInChI=1S/C10H16N2O4/c13-9(15-11-7-1-2-7)5-6-10(14)16-12-8-3-4-8/h7-8,11-12H,1-6H2
InChIKeyNNZFPEVBGOBFBU-UHFFFAOYSA-N
XLogP0.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(cyclopentylamino) pentanoate
CID 175087443
bis(cyclohexylamino) 3-methylidenepentanedioate
CID 154089481
(cyclopentylamino) hydrogen carbonate
CID 150964345
2-(cyclopropylamino)oxyacetamide
CID 103439345
[[4-(aminomethyl)cyclohexyl]amino] 2-phenylacetate
CID 174784509
2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
CID 59002737
2-(cyclohexylamino)oxy-2-oxoacetic acid
CID 174869598
[(4-methylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 87830167
N,N'-dicyclopropylbutanediamide
CID 5225156
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate
CID 175319977
ethenyl N-cyclopropylcarbamate
CID 154238495

Frequently Asked Questions

What is the IUPAC name of bis(cyclopropylamino) butanedioate?
The IUPAC name of bis(cyclopropylamino) butanedioate (CID 174889367) is bis(cyclopropylamino) butanedioate.
What is the SMILES notation for bis(cyclopropylamino) butanedioate?
The canonical SMILES for bis(cyclopropylamino) butanedioate is O=C(CCC(=O)ONC1CC1)ONC1CC1.
What is the InChIKey of bis(cyclopropylamino) butanedioate?
The InChIKey is NNZFPEVBGOBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(15-11-7-1-2-7)5-6-10(14)16-12-8-3-4-8/h7-8,11-12H,1-6H2.
What are the key properties of bis(cyclopropylamino) butanedioate?
bis(cyclopropylamino) butanedioate has a molecular weight of 228.25 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropylamino) butanedioate is sourced from PubChem (CID 174889367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).