2-methyl-2-(prop-2-enoylamino)pentanoic acid

C9H15NO3 — CID 43619115

IUPAC2-methyl-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-6-9(3,8(12)13)10-7(11)5-2/h5H,2,4,6H2,1,3H3,(H,10,11)(H,12,13)
InChIKeyUWKUKUFSIWROBU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.93
Rot. Bonds5

About 2-methyl-2-(prop-2-enoylamino)pentanoic acid

2-methyl-2-(prop-2-enoylamino)pentanoic acid (PubChem CID 43619115) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)pentanoic acid
PubChem CID43619115
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methyl-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-6-9(3,8(12)13)10-7(11)5-2/h5H,2,4,6H2,1,3H3,(H,10,11)(H,12,13)
InChIKeyUWKUKUFSIWROBU-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.93
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

N-acryloyl l-leucine
CID 22826147
(2S)-2-(3-fluoroprop-2-enoylamino)-4-methylpentanoic acid
CID 54288462
4-Methyl-2-(prop-2-enoylamino)pentanoic acid
CID 10176417
N-(1-Oxo-2-propen-1-yl)-D-leucine
CID 11820331
2-Methyl-2-(prop-2-enoylamino)butanoic acid
CID 13795970
2-Acrylamido-2-ethylbutanoic acid
CID 13795971
1-(Acryloylamino)cyclopentane-1-carboxylic acid
CID 13795972
3-Methyl-3-(prop-2-enoylamino)pentanoic acid
CID 13879814
2,3,3-Trimethyl-2-(prop-2-enoylamino)butanoic acid
CID 13879815
3-Methyl-2-(prop-2-enoylamino)pentanoic acid
CID 18798173
2-Methyl-2-(2-methylprop-2-enoylamino)butanoic acid
CID 21989617
(2S,3S)-3-methyl-2-(prop-2-enoylamino)pentanoic acid
CID 28185969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)pentanoic acid (CID 43619115) is 2-methyl-2-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)pentanoic acid?
The InChIKey is UWKUKUFSIWROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-6-9(3,8(12)13)10-7(11)5-2/h5H,2,4,6H2,1,3H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)pentanoic acid?
2-methyl-2-(prop-2-enoylamino)pentanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 43619115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).