(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid

C8H11NO5 — CID 11008966

IUPAC(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCCC(=O)O
InChIInChI=1S/C8H11NO5/c10-6(3-4-8(13)14)9-5-1-2-7(11)12/h3-4H,1-2,5H2,(H,9,10)(H,11,12)(H,13,14)/b4-3-
InChIKeyYNSWNGCOMKJSHN-ARJAWSKDSA-N
MW201.18 g/mol
LogP-0.39
Rot. Bonds6

About (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid

(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid (PubChem CID 11008966) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid
PubChem CID11008966
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCCC(=O)O
InChIInChI=1S/C8H11NO5/c10-6(3-4-8(13)14)9-5-1-2-7(11)12/h3-4H,1-2,5H2,(H,9,10)(H,11,12)(H,13,14)/b4-3-
InChIKeyYNSWNGCOMKJSHN-ARJAWSKDSA-N
XLogP-0.39
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Prop-2-enamido)butanoic acid
CID 324232
N-normal-butyl maleamic acid
CID 5355547
(E)-4-(butylamino)-4-oxobut-2-enoic acid
CID 5875651
4-(Butylamino)-4-oxobut-2-enoic acid
CID 97787
N,N'-Trimethylenedimaleamic acid
CID 5381201
(Z)-6-(3-Carboxyacrylamido)hexanoic acid
CID 5384149
cis-5-Aza-4-oxo-oct-2-en-dioic Acid
CID 16038162
(E)-4-((4-Aminobutyl)amino)-4-oxobut-2-enoic acid
CID 60940617
(2E)-3-[(2-Carboxyethyl)carbamoyl]prop-2-enoic acid
CID 5875665
4,4'-(Propane-1,3-diylbis(azanediyl))bis(4-oxobut-2-enoic acid)
CID 5909171
4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid
CID 240629
4-[4-(3-Carboxyprop-2-enoylamino)butylamino]-4-oxobut-2-enoic acid
CID 240642

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid (CID 11008966) is (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)NCCCC(=O)O.
What is the InChIKey of (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid?
The InChIKey is YNSWNGCOMKJSHN-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11NO5/c10-6(3-4-8(13)14)9-5-1-2-7(11)12/h3-4H,1-2,5H2,(H,9,10)(H,11,12)(H,13,14)/b4-3-.
What are the key properties of (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid?
(Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-carboxypropylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 11008966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).