7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid

C11H17NO5 — CID 10776610

IUPAC7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H17NO5/c13-9(6-7-11(16)17)12-8-4-2-1-3-5-10(14)15/h6-7H,1-5,8H2,(H,12,13)(H,14,15)(H,16,17)/b7-6-
InChIKeyPAALHEUIGQYLAU-SREVYHEPSA-N
MW243.26 g/mol
LogP0.78
Rot. Bonds9

About 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid

7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid (PubChem CID 10776610) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
PubChem CID10776610
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
SMILESO=C(O)/C=C\C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H17NO5/c13-9(6-7-11(16)17)12-8-4-2-1-3-5-10(14)15/h6-7H,1-5,8H2,(H,12,13)(H,14,15)(H,16,17)/b7-6-
InChIKeyPAALHEUIGQYLAU-SREVYHEPSA-N
XLogP0.78
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.78
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

19-[[(Z)-3-carboxyprop-2-enoyl]amino]nonadecanoic acid
CID 88731152
5-(3-carboxyprop-2-enoylamino)pentanoic acid
CID 54175849
(Z)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
CID 92542312
4-[8-(3-carboxyprop-2-enoylamino)octylamino]-4-oxobut-2-enoic acid
CID 54461920
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
CID 5381201
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
(E)-4-[[(E)-dec-8-enyl]amino]-4-oxobut-2-enoic acid
CID 101277205
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
(Z)-but-2-enedioic acid;hexanedioic acid
CID 87949231

Frequently Asked Questions

What is the IUPAC name of 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid?
The IUPAC name of 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid (CID 10776610) is 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid is O=C(O)/C=C\C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid?
The InChIKey is PAALHEUIGQYLAU-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17NO5/c13-9(6-7-11(16)17)12-8-4-2-1-3-5-10(14)15/h6-7H,1-5,8H2,(H,12,13)(H,14,15)(H,16,17)/b7-6-.
What are the key properties of 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid?
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid is sourced from PubChem (CID 10776610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).