methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

C10H20N2O3 — CID 21338874

IUPACmethyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)8(12-10(14)15-5)9(13)11-7(3)4/h6-8H,1-5H3,(H,11,13)(H,12,14)
InChIKeyBUHIMPKYPIDGCH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.89
Rot. Bonds4

About methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (PubChem CID 21338874) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
PubChem CID21338874
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)8(12-10(14)15-5)9(13)11-7(3)4/h6-8H,1-5H3,(H,11,13)(H,12,14)
InChIKeyBUHIMPKYPIDGCH-UHFFFAOYSA-N
XLogP0.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
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{[(2S)-2-azaniumyl-3-methylbutanoyl]amino}acetate
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N-[2-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
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Cyclo-L-Val-L-Val
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (CID 21338874) is methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is COC(=O)NC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is BUHIMPKYPIDGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)8(12-10(14)15-5)9(13)11-7(3)4/h6-8H,1-5H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 21338874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).