5-(3-carboxyprop-2-enoylamino)pentanoic acid

C9H13NO5 — CID 54175849

IUPAC5-(3-carboxyprop-2-enoylamino)pentanoic acid
SMILESO=C(O)C=CC(=O)NCCCCC(=O)O
InChIInChI=1S/C9H13NO5/c11-7(4-5-9(14)15)10-6-2-1-3-8(12)13/h4-5H,1-3,6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOYHRHYFPZOKENM-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.00
Rot. Bonds7

About 5-(3-carboxyprop-2-enoylamino)pentanoic acid

5-(3-carboxyprop-2-enoylamino)pentanoic acid (PubChem CID 54175849) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 5-(3-carboxyprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-carboxyprop-2-enoylamino)pentanoic acid
PubChem CID54175849
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name5-(3-carboxyprop-2-enoylamino)pentanoic acid
SMILESO=C(O)C=CC(=O)NCCCCC(=O)O
InChIInChI=1S/C9H13NO5/c11-7(4-5-9(14)15)10-6-2-1-3-8(12)13/h4-5H,1-3,6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOYHRHYFPZOKENM-UHFFFAOYSA-N
XLogP-0.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.00
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
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
CID 10776610
(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
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
(Z)-but-2-enedioic acid;hexanedioic acid
CID 87949231
(Z)-4-[2-(2-carboxyethylamino)ethylamino]-4-oxobut-2-enoic acid
CID 163282832
butanedioic acid;bis(but-2-enedioic acid);hexanedioic acid
CID 172744714
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxyprop-2-enoylamino)pentanoic acid?
The IUPAC name of 5-(3-carboxyprop-2-enoylamino)pentanoic acid (CID 54175849) is 5-(3-carboxyprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 5-(3-carboxyprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 5-(3-carboxyprop-2-enoylamino)pentanoic acid is O=C(O)C=CC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-(3-carboxyprop-2-enoylamino)pentanoic acid?
The InChIKey is OYHRHYFPZOKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-7(4-5-9(14)15)10-6-2-1-3-8(12)13/h4-5H,1-3,6H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 5-(3-carboxyprop-2-enoylamino)pentanoic acid?
5-(3-carboxyprop-2-enoylamino)pentanoic acid has a molecular weight of 215.20 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxyprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 54175849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).