methyl 3-(hexan-3-ylamino)butanoate

C11H23NO2 — CID 62117257

IUPACmethyl 3-(hexan-3-ylamino)butanoate
SMILESCCCC(CC)NC(C)CC(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-10(6-2)12-9(3)8-11(13)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPNTLQEVBYRQSME-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About methyl 3-(hexan-3-ylamino)butanoate

methyl 3-(hexan-3-ylamino)butanoate (PubChem CID 62117257) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-(hexan-3-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(hexan-3-ylamino)butanoate
PubChem CID62117257
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-(hexan-3-ylamino)butanoate
SMILESCCCC(CC)NC(C)CC(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-10(6-2)12-9(3)8-11(13)14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPNTLQEVBYRQSME-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1-hydroxypentan-3-ylamino)butanoate
CID 115976781
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
CID 115905985
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
methyl 3-hydroxy-4-methylheptanoate
CID 14280456
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
methyl (3R)-3-(aminomethyl)hexanoate
CID 87371995
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
N-butan-2-ylheptan-4-amine
CID 43190303
N-pentan-3-ylhexan-3-amine
CID 62118915
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hexan-3-ylamino)butanoate?
The IUPAC name of methyl 3-(hexan-3-ylamino)butanoate (CID 62117257) is methyl 3-(hexan-3-ylamino)butanoate.
What is the SMILES notation for methyl 3-(hexan-3-ylamino)butanoate?
The canonical SMILES for methyl 3-(hexan-3-ylamino)butanoate is CCCC(CC)NC(C)CC(=O)OC.
What is the InChIKey of methyl 3-(hexan-3-ylamino)butanoate?
The InChIKey is PNTLQEVBYRQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-10(6-2)12-9(3)8-11(13)14-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 3-(hexan-3-ylamino)butanoate?
methyl 3-(hexan-3-ylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hexan-3-ylamino)butanoate is sourced from PubChem (CID 62117257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).