methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C13H23N3O5 — CID 115971586

IUPACmethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20)
InChIKeyFIJCQUGIGIIPNJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.92
Rot. Bonds5

About methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 115971586) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID115971586
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Namemethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20)
InChIKeyFIJCQUGIGIIPNJ-UHFFFAOYSA-N
XLogP-0.92
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1-[(cyclohexylamino)carbonyl]-4-hydroxy-2-pyrrolidinecarboxylate
CID 3296025
1-(Boc-L-valyl)-(4R)-4-hydroxy-L-proline
CID 10568416
Leucyl-hydroxyproline
CID 25227057
(2S,4R)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 24948616
Isoleucyl-hydroxyproline
CID 25227053
H-Ala-Hyp-OH
CID 25227058
Valylhydroxyproline
CID 63842322
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162303
1-(Boc-L-leucyl)-(4R)-4-hydroxy-L-proline
CID 44429243
Boc-Ala-Hyp-OMe
CID 44429254
Poly(glycyl-valyl-hydroxyproline)
CID 124765
Citrullyl-prolyl-hydroxyproline
CID 141496610

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 115971586) is methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C.
What is the InChIKey of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is FIJCQUGIGIIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20).
What are the key properties of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).