tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

C17H33N3O3 — CID 69432150

IUPACtert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)N1CCCC1
InChIInChI=1S/C17H33N3O3/c1-7-20(19-10-8-9-11-19)15(21)12-14(13(2)3)18-16(22)23-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,22)/t14-/m1/s1
InChIKeyNZXGHALHUBUVHM-CQSZACIVSA-N
MW327.47 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate

tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (PubChem CID 69432150) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
PubChem CID69432150
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)N1CCCC1
InChIInChI=1S/C17H33N3O3/c1-7-20(19-10-8-9-11-19)15(21)12-14(13(2)3)18-16(22)23-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,22)/t14-/m1/s1
InChIKeyNZXGHALHUBUVHM-CQSZACIVSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-[ethyl(pyrrolidin-1-yl)amino]-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69429344
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 24824434
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 101375813
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(3R)-6-bromo-2-methyl-5-oxohexan-3-yl]carbamate
CID 170910641
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate
CID 139781998
tert-butyl N-[(1Z,3S)-1-amino-1-hydroxyimino-4-methylpentan-3-yl]carbamate
CID 138708705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate (CID 69432150) is tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)N1CCCC1.
What is the InChIKey of tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
The InChIKey is NZXGHALHUBUVHM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-7-20(19-10-8-9-11-19)15(21)12-14(13(2)3)18-16(22)23-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,22)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate?
tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 69432150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).