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

C9H17NO2 — CID 43619565

IUPAC2-methyl-2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(C)(CCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-4-6-9(3,8(11)12)10-7-5-2/h5,10H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKeyUHGDSCROOKBZBP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.41
Rot. Bonds6

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

2-methyl-2-(prop-2-enylamino)pentanoic acid (PubChem CID 43619565) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enylamino)pentanoic acid
PubChem CID43619565
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(C)(CCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-4-6-9(3,8(11)12)10-7-5-2/h5,10H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKeyUHGDSCROOKBZBP-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate
CID 11148120
t-Butyl leucine
CID 53695426
N,N-diallylaminoisohexanoic acid
CID 86291801
[(1S)-1-carboxy-3-methylbutyl]-tris(prop-2-enyl)azanium
CID 12049168
(5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylic acid
CID 131188669
2-(2-Fluoroethylamino)-2-methylpentanoic acid
CID 80694933
2-(3-Fluoropropylamino)-2-methylpentanoic acid
CID 81114001
2-Methyl-2-(2,2,2-trifluoroethylamino)hex-5-enoic acid
CID 104656057
6,6,6-Trifluoro-2-methyl-2-(prop-2-enylamino)hexanoic acid
CID 116535587
2-(Tert-butylamino)-4-methylpentanoic acid
CID 17774812
4-Methyl-2-(3-methylbut-2-enylamino)pentanoic acid
CID 18418747
4-Methyl-2-(2-methylprop-2-enylamino)pentanoic acid
CID 19364835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(prop-2-enylamino)pentanoic acid (CID 43619565) is 2-methyl-2-(prop-2-enylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(prop-2-enylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(prop-2-enylamino)pentanoic acid is C=CCNC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-(prop-2-enylamino)pentanoic acid?
The InChIKey is UHGDSCROOKBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-9(3,8(11)12)10-7-5-2/h5,10H,2,4,6-7H2,1,3H3,(H,11,12).
What are the key properties of 2-methyl-2-(prop-2-enylamino)pentanoic acid?
2-methyl-2-(prop-2-enylamino)pentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.41, 6 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-enylamino)pentanoic acid is sourced from PubChem (CID 43619565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).