methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate

C8H16N2O4 — CID 54287904

IUPACmethyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
SMILESCCC(CNC(=O)OC)NC(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-6(10-8(12)14-3)5-9-7(11)13-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyRVLNGOMRZOOHHD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.48
Rot. Bonds4

About methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate

methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate (PubChem CID 54287904) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
PubChem CID54287904
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namemethyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
SMILESCCC(CNC(=O)OC)NC(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-6(10-8(12)14-3)5-9-7(11)13-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyRVLNGOMRZOOHHD-UHFFFAOYSA-N
XLogP0.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-aminopentan-3-yl)carbamate
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methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
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tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
N-(2-acetamidobutyl)acetamide
CID 547374
methyl N-hept-6-en-3-ylcarbamate
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methyl N-(2-formylbutyl)carbamate
CID 123511386
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
methyl N-[1-(N-nitrosoanilino)butan-2-yl]carbamate
CID 10538703
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate (CID 54287904) is methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate is CCC(CNC(=O)OC)NC(=O)OC.
What is the InChIKey of methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate?
The InChIKey is RVLNGOMRZOOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4-6(10-8(12)14-3)5-9-7(11)13-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate?
methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate is sourced from PubChem (CID 54287904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).