methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate

C14H25N3O4 — CID 90136535

IUPACmethyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC)C(C)C
InChIInChI=1S/C14H25N3O4/c1-8(2)11(17-14(20)21-4)13(19)16-10-7-5-6-9(10)12(18)15-3/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,19)(H,17,20)/t9-,10-,11-/m0/s1
InChIKeyMEFUTPGWPZISEH-DCAQKATOSA-N
MW299.37 g/mol
LogP0.40
Rot. Bonds5

About methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate (PubChem CID 90136535) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
PubChem CID90136535
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC)C(C)C
InChIInChI=1S/C14H25N3O4/c1-8(2)11(17-14(20)21-4)13(19)16-10-7-5-6-9(10)12(18)15-3/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,19)(H,17,20)/t9-,10-,11-/m0/s1
InChIKeyMEFUTPGWPZISEH-DCAQKATOSA-N
XLogP0.40
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[(2S)-3-methyl-1-[[(1R,2R)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate
CID 90136539
methyl N-[(2S)-3-methyl-1-oxo-1-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]amino]butan-2-yl]carbamate
CID 58185325
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid
CID 139436584
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 97251779
methyl N-[(2S)-3-methyl-1-[(3R)-3-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90136532
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3501377
tert-butyl N-[(1R,2S)-2-(propan-2-ylcarbamoyl)cycloheptyl]carbamate
CID 95975128

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate (CID 90136535) is methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate is CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is MEFUTPGWPZISEH-DCAQKATOSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-8(2)11(17-14(20)21-4)13(19)16-10-7-5-6-9(10)12(18)15-3/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,19)(H,17,20)/t9-,10-,11-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-[[(1S,2S)-2-(methylcarbamoyl)cyclopentyl]amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 90136535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).