(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid

C10H15NO2 — CID 21432845

IUPAC(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
SMILESC=CCN(CC=C)/C(C)=C\C(=O)O
InChIInChI=1S/C10H15NO2/c1-4-6-11(7-5-2)9(3)8-10(12)13/h4-5,8H,1-2,6-7H2,3H3,(H,12,13)/b9-8-
InChIKeyHTDTVLNVDCQICQ-HJWRWDBZSA-N
MW181.23 g/mol
LogP1.65
Rot. Bonds6

About (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid

(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid (PubChem CID 21432845) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
PubChem CID21432845
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
SMILESC=CCN(CC=C)/C(C)=C\C(=O)O
InChIInChI=1S/C10H15NO2/c1-4-6-11(7-5-2)9(3)8-10(12)13/h4-5,8H,1-2,6-7H2,3H3,(H,12,13)/b9-8-
InChIKeyHTDTVLNVDCQICQ-HJWRWDBZSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid?
The IUPAC name of (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid (CID 21432845) is (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid.
What is the SMILES notation for (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid?
The canonical SMILES for (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid is C=CCN(CC=C)/C(C)=C\C(=O)O.
What is the InChIKey of (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid?
The InChIKey is HTDTVLNVDCQICQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-6-11(7-5-2)9(3)8-10(12)13/h4-5,8H,1-2,6-7H2,3H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid?
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid is sourced from PubChem (CID 21432845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).