tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate

C18H33N3O4 — CID 166372209

IUPACtert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate
SMILESCCC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1NC(C)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33N3O4/c1-6-8-13(20-17(24)25-18(3,4)5)11-16(23)21-15-10-7-9-14(15)19-12(2)22/h13-15H,6-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,14+,15-/m1/s1
InChIKeyODSHNXABERWXEI-QLFBSQMISA-N
MW355.48 g/mol
LogP2.24
Rot. Bonds7

About tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate

tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate (PubChem CID 166372209) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate
PubChem CID166372209
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate
SMILESCCC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1NC(C)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33N3O4/c1-6-8-13(20-17(24)25-18(3,4)5)11-16(23)21-15-10-7-9-14(15)19-12(2)22/h13-15H,6-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,14+,15-/m1/s1
InChIKeyODSHNXABERWXEI-QLFBSQMISA-N
XLogP2.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
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tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
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tert-butyl N-[1-(methylamino)heptan-4-yl]carbamate
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tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
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(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate (CID 166372209) is tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate is CCC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1NC(C)=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate?
The InChIKey is ODSHNXABERWXEI-QLFBSQMISA-N. The full InChI is InChI=1S/C18H33N3O4/c1-6-8-13(20-17(24)25-18(3,4)5)11-16(23)21-15-10-7-9-14(15)19-12(2)22/h13-15H,6-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate?
tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate has a molecular weight of 355.48 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[[(1R,2S)-2-acetamidocyclopentyl]amino]-1-oxohexan-3-yl]carbamate is sourced from PubChem (CID 166372209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).