2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid

C11H19NO3 — CID 90796720

IUPAC2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid
SMILESC=CC(=O)N(C)CCC(CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-9(11(14)15)7-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15)
InChIKeyHYUZHMGCVRLVHE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds7

About 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid

2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid (PubChem CID 90796720) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid
PubChem CID90796720
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid
SMILESC=CC(=O)N(C)CCC(CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-9(11(14)15)7-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15)
InChIKeyHYUZHMGCVRLVHE-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-(Prop-2-enoyl)piperidin-4-yl)propanoic acid
CID 62217305
1-Acryloylpiperidine-4-carboxylic acid
CID 18702717
2-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]acetic acid
CID 94539592
6-(2,5-Dioxopyrrol-1-yl)-4-methylhexanoic acid
CID 64364557
2-[2-(2-Methylprop-2-enoylamino)ethyl]pentanoic acid
CID 87771062
2-[2-(Prop-2-enoylamino)ethyl]pentanoic acid
CID 87771270
2-Ethyl-5-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid
CID 90985435
2-Methyl-6-[methyl(2-methylprop-2-enoyl)amino]hexanoic acid
CID 91091537
2-[2-[Methyl(2-methylprop-2-enoyl)amino]ethyl]pentanoic acid
CID 91144503
2-Ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid
CID 91175474
2-Methyl-6-[methyl(prop-2-enoyl)amino]hexanoic acid
CID 91274982
4-Methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid
CID 91290294

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid?
The IUPAC name of 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid (CID 90796720) is 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid.
What is the SMILES notation for 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid?
The canonical SMILES for 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid is C=CC(=O)N(C)CCC(CCC)C(=O)O.
What is the InChIKey of 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid?
The InChIKey is HYUZHMGCVRLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-9(11(14)15)7-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15).
What are the key properties of 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid?
2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(prop-2-enoyl)amino]ethyl]pentanoic acid is sourced from PubChem (CID 90796720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).