methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate

C10H18ClNO2 — CID 104646630

IUPACmethyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
SMILESC=C(Cl)CNC(C)CC(C)C(=O)OC
InChIInChI=1S/C10H18ClNO2/c1-7(10(13)14-4)5-9(3)12-6-8(2)11/h7,9,12H,2,5-6H2,1,3-4H3
InChIKeyQFAAJJBIAUWXFH-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate

methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate (PubChem CID 104646630) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
PubChem CID104646630
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
SMILESC=C(Cl)CNC(C)CC(C)C(=O)OC
InChIInChI=1S/C10H18ClNO2/c1-7(10(13)14-4)5-9(3)12-6-8(2)11/h7,9,12H,2,5-6H2,1,3-4H3
InChIKeyQFAAJJBIAUWXFH-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
CID 104646176
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
methyl 2-methyl-4-(3-methylsulfanylpropylamino)pentanoate
CID 104646397
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 4-(4-cyanobutylamino)-2-methylpentanoate
CID 104646277
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
CID 58391087
CID 58391087
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate (CID 104646630) is methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate is C=C(Cl)CNC(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate?
The InChIKey is QFAAJJBIAUWXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-7(10(13)14-4)5-9(3)12-6-8(2)11/h7,9,12H,2,5-6H2,1,3-4H3.
What are the key properties of methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate?
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate has a molecular weight of 219.71 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate is sourced from PubChem (CID 104646630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).