tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate

C15H29N3O3 — CID 66566278

IUPACtert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-17(14(20)21-15(3,4)5)10-12-8-7-9-18(12)13(19)11(2)16/h11-12H,6-10,16H2,1-5H3/t11-,12-/m0/s1
InChIKeyZSJLVLHBECTLJQ-RYUDHWBXSA-N
MW299.42 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate

tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate (PubChem CID 66566278) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
PubChem CID66566278
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-17(14(20)21-15(3,4)5)10-12-8-7-9-18(12)13(19)11(2)16/h11-12H,6-10,16H2,1-5H3/t11-,12-/m0/s1
InChIKeyZSJLVLHBECTLJQ-RYUDHWBXSA-N
XLogP1.58
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
CID 77143989
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
CID 96553576
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
CID 66566359
tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 131108775
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-2-yl]methyl]-N-ethylcarbamate
CID 66566828
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566270
tert-butyl 2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 66564130

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate (CID 66566278) is tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate is CCN(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate?
The InChIKey is ZSJLVLHBECTLJQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-17(14(20)21-15(3,4)5)10-12-8-7-9-18(12)13(19)11(2)16/h11-12H,6-10,16H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate?
tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate has a molecular weight of 299.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 66566278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).