methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate

C11H20ClNO2 — CID 106437639

IUPACmethyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(C)=CCl
InChIInChI=1S/C11H20ClNO2/c1-8(2)5-10(11(14)15-4)13-7-9(3)6-12/h6,8,10,13H,5,7H2,1-4H3
InChIKeyDHXUTRSRWFKRGD-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.31
Rot. Bonds6

About methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate

methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate (PubChem CID 106437639) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
PubChem CID106437639
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(C)=CCl
InChIInChI=1S/C11H20ClNO2/c1-8(2)5-10(11(14)15-4)13-7-9(3)6-12/h6,8,10,13H,5,7H2,1-4H3
InChIKeyDHXUTRSRWFKRGD-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]prop-2-enoic acid
CID 103245766
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
CID 54940277
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60692089
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-4-methylpentanoate
CID 11667830
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60696601

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate (CID 106437639) is methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCC(C)=CCl.
What is the InChIKey of methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate?
The InChIKey is DHXUTRSRWFKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(2)5-10(11(14)15-4)13-7-9(3)6-12/h6,8,10,13H,5,7H2,1-4H3.
What are the key properties of methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate?
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate has a molecular weight of 233.74 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate is sourced from PubChem (CID 106437639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).