methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate

C10H19NO2 — CID 11148120

IUPACmethyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCN[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3/t9-/m0/s1
InChIKeyWEIWEPKUNKYJCT-VIFPVBQESA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds6

About methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate

methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate (PubChem CID 11148120) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate
PubChem CID11148120
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCN[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3/t9-/m0/s1
InChIKeyWEIWEPKUNKYJCT-VIFPVBQESA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride
CID 85609281
methyl (2S)-4-methyl-2-(prop-2-enoylamino)pentanoate
CID 11333102
Pentanoic acid, 4-methyl-2-methylamino, methyl ester
CID 523517
methyl (2S)-2-[[(E,3S)-hept-4-en-3-yl]amino]-4-methylpentanoate
CID 154721601
methyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 10921446
(S)-methyl 4-methyl-2-(2H-pyrrol-1(5H)-yl)pentanoate
CID 59180255
methyl (2S)-3-methyl-2-(prop-2-enylamino)butanoate
CID 10313308
Methyl 3-methyl-2-(propan-2-ylamino)pentanoate
CID 43230582
Methyl 2-(butylamino)-4-methylpentanoate
CID 43230585
methyl (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-4-methylpentanoate
CID 51681571
methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate
CID 135037455
Methyl 4-methyl-2-[prop-2-enyl(prop-2-ynyl)amino]pentanoate
CID 135083802

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate (CID 11148120) is methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate is C=CCN[C@@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate?
The InChIKey is WEIWEPKUNKYJCT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h5,8-9,11H,1,6-7H2,2-4H3/t9-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate?
methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate has a molecular weight of 185.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-(prop-2-enylamino)pentanoate is sourced from PubChem (CID 11148120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).