methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate

C11H21NO3 — CID 106822708

IUPACmethyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-5-8(2)12-11(10(13)15-4)6-9(7-11)14-3/h8-9,12H,5-7H2,1-4H3
InChIKeyHEBASXWPIOBZTG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate

methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate (PubChem CID 106822708) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
PubChem CID106822708
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-5-8(2)12-11(10(13)15-4)6-9(7-11)14-3/h8-9,12H,5-7H2,1-4H3
InChIKeyHEBASXWPIOBZTG-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 106822542
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
methyl 3-(butan-2-ylamino)thiolane-3-carboxylate
CID 61023768
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739

Frequently Asked Questions

What is the IUPAC name of methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate (CID 106822708) is methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate is CCC(C)NC1(C(=O)OC)CC(OC)C1.
What is the InChIKey of methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate?
The InChIKey is HEBASXWPIOBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(2)12-11(10(13)15-4)6-9(7-11)14-3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate?
methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate is sourced from PubChem (CID 106822708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).