4-(2-methylpent-2-enoylamino)pentanoic acid

C11H19NO3 — CID 77016913

IUPAC4-(2-methylpent-2-enoylamino)pentanoic acid
SMILESCCC=C(C)C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-4-5-8(2)11(15)12-9(3)6-7-10(13)14/h5,9H,4,6-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyGYZBOGUABGXMHC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds6

About 4-(2-methylpent-2-enoylamino)pentanoic acid

4-(2-methylpent-2-enoylamino)pentanoic acid (PubChem CID 77016913) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-methylpent-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-methylpent-2-enoylamino)pentanoic acid
PubChem CID77016913
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(2-methylpent-2-enoylamino)pentanoic acid
SMILESCCC=C(C)C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-4-5-8(2)11(15)12-9(3)6-7-10(13)14/h5,9H,4,6-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyGYZBOGUABGXMHC-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
CID 107562969
(2S)-5-methoxy-2-[[(Z)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
CID 114004611
N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 77011072
(2S)-2-(2-methylbut-2-enoylamino)pentanedioic acid
CID 90258281
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
CID 98205277
(2S)-2-hydroxy-3-[[(Z)-2-methylpent-2-enoyl]amino]propanoic acid
CID 107833074
4-(2,4-dimethylpent-4-enoylamino)pentanoic acid
CID 120689381
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537
4-[[(Z)-3-cyclopropylbut-2-enoyl]amino]pentanoic acid
CID 115923964
CID 158703292
CID 158703292
(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
CID 47028293
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 107795132

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpent-2-enoylamino)pentanoic acid?
The IUPAC name of 4-(2-methylpent-2-enoylamino)pentanoic acid (CID 77016913) is 4-(2-methylpent-2-enoylamino)pentanoic acid.
What is the SMILES notation for 4-(2-methylpent-2-enoylamino)pentanoic acid?
The canonical SMILES for 4-(2-methylpent-2-enoylamino)pentanoic acid is CCC=C(C)C(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-(2-methylpent-2-enoylamino)pentanoic acid?
The InChIKey is GYZBOGUABGXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-8(2)11(15)12-9(3)6-7-10(13)14/h5,9H,4,6-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-(2-methylpent-2-enoylamino)pentanoic acid?
4-(2-methylpent-2-enoylamino)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpent-2-enoylamino)pentanoic acid is sourced from PubChem (CID 77016913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).