methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

C13H20N2O4 — CID 110351273

IUPACmethyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O4/c1-9(2)7-11(15-13(17)18-3)12(16)14-8-10-5-4-6-19-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyUBEDVNKZRQDGPW-NSHDSACASA-N
MW268.31 g/mol
LogP1.67
Rot. Bonds6

About methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 110351273) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID110351273
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O4/c1-9(2)7-11(15-13(17)18-3)12(16)14-8-10-5-4-6-19-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyUBEDVNKZRQDGPW-NSHDSACASA-N
XLogP1.67
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
CID 110351255
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
methyl N-[1-[(5-bromothiophen-2-yl)methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407367
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 110351295
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 59888484

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (CID 110351273) is methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccco1.
What is the InChIKey of methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is UBEDVNKZRQDGPW-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(2)7-11(15-13(17)18-3)12(16)14-8-10-5-4-6-19-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 268.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 110351273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).