tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C14H24N2O6 — CID 11616671

IUPACtert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(20)16-7-5-6-10(16)11(18)15-9(8-17)12(19)21-4/h9-10,17H,5-8H2,1-4H3,(H,15,18)/t9-,10-/m0/s1
InChIKeyKNXAIVLYDJENKJ-UWVGGRQHSA-N
MW316.35 g/mol
LogP0.04
Rot. Bonds4

About tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 11616671) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID11616671
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nametert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(20)16-7-5-6-10(16)11(18)15-9(8-17)12(19)21-4/h9-10,17H,5-8H2,1-4H3,(H,15,18)/t9-,10-/m0/s1
InChIKeyKNXAIVLYDJENKJ-UWVGGRQHSA-N
XLogP0.04
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

Proline Serine dipeptide
CID 18218236
Prolyl-serine
CID 7408258
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
Prolylthreonine
CID 18218237
3-Hydroxy-2-[(pyrrolidinium-2-ylcarbonyl)amino]propanoate
CID 44369242
Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-1-(hydroxymethyl)-2-oxoethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-
CID 3063137
2-(((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)formamido)acetic acid
CID 7019896
Ser-Pro-Ile
CID 11404267
H-Gly-Gly-Pro-Ser-OH
CID 70681730
(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate
CID 7408257
(2S,3R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 6420131
methyl N-(tert-butoxycarbonyl)glycylprolylglycinate
CID 3238116

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 11616671) is tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is KNXAIVLYDJENKJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-14(2,3)22-13(20)16-7-5-6-10(16)11(18)15-9(8-17)12(19)21-4/h9-10,17H,5-8H2,1-4H3,(H,15,18)/t9-,10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 316.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).