tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate

C20H35N3O4 — CID 124856297

IUPACtert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1NCC(=O)NCC1CC1
InChIInChI=1S/C20H35N3O4/c1-20(2,3)27-19(25)23-9-10-26-13-17(23)15-5-4-6-16(15)21-12-18(24)22-11-14-7-8-14/h14-17,21H,4-13H2,1-3H3,(H,22,24)/t15-,16-,17-/m1/s1
InChIKeyIOMCTIDPZBYJQM-BRWVUGGUSA-N
MW381.52 g/mol
LogP1.91
Rot. Bonds6

About tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate

tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate (PubChem CID 124856297) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate
PubChem CID124856297
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Nametert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1NCC(=O)NCC1CC1
InChIInChI=1S/C20H35N3O4/c1-20(2,3)27-19(25)23-9-10-26-13-17(23)15-5-4-6-16(15)21-12-18(24)22-11-14-7-8-14/h14-17,21H,4-13H2,1-3H3,(H,22,24)/t15-,16-,17-/m1/s1
InChIKeyIOMCTIDPZBYJQM-BRWVUGGUSA-N
XLogP1.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate with MolForge

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Related Compounds

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CID 79537863
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CID 126813716
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tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
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tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate (CID 124856297) is tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1NCC(=O)NCC1CC1.
What is the InChIKey of tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate?
The InChIKey is IOMCTIDPZBYJQM-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-20(2,3)27-19(25)23-9-10-26-13-17(23)15-5-4-6-16(15)21-12-18(24)22-11-14-7-8-14/h14-17,21H,4-13H2,1-3H3,(H,22,24)/t15-,16-,17-/m1/s1.
What are the key properties of tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1R,2R)-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclopentyl]morpholine-4-carboxylate is sourced from PubChem (CID 124856297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).