(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid

C10H13NO4 — CID 87691672

IUPAC(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
SMILESC=CCN(CC=C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-3-5-11(6-4-2)8(10(14)15)7-9(12)13/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)/b8-7-
InChIKeyANAAPFDZDSEVFJ-FPLPWBNLSA-N
MW211.22 g/mol
LogP0.71
Rot. Bonds7

About (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid

(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid (PubChem CID 87691672) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
PubChem CID87691672
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
SMILESC=CCN(CC=C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-3-5-11(6-4-2)8(10(14)15)7-9(12)13/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)/b8-7-
InChIKeyANAAPFDZDSEVFJ-FPLPWBNLSA-N
XLogP0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-prop-2-enylperoxybut-2-enedioic acid
CID 173197280
2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837646
CID 140859392
CID 140859392
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid?
The IUPAC name of (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid (CID 87691672) is (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid.
What is the SMILES notation for (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid?
The canonical SMILES for (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid is C=CCN(CC=C)/C(=C\C(=O)O)C(=O)O.
What is the InChIKey of (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid?
The InChIKey is ANAAPFDZDSEVFJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-5-11(6-4-2)8(10(14)15)7-9(12)13/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)/b8-7-.
What are the key properties of (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid?
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid has a molecular weight of 211.22 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid is sourced from PubChem (CID 87691672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).