methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C24H30N2O4 — CID 58195194

IUPACmethyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2cc(C)ccc2c1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-15(2)22(25-24(29)30-4)23(28)26-11-5-6-20(26)21(27)14-17-8-10-18-12-16(3)7-9-19(18)13-17/h7-10,12-13,15,20,22H,5-6,11,14H2,1-4H3,(H,25,29)/t20-,22-/m0/s1
InChIKeyUHUBNNZUKWQZOJ-UNMCSNQZSA-N
MW410.51 g/mol
LogP3.63
Rot. Bonds6

About methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 58195194) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID58195194
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2cc(C)ccc2c1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-15(2)22(25-24(29)30-4)23(28)26-11-5-6-20(26)21(27)14-17-8-10-18-12-16(3)7-9-19(18)13-17/h7-10,12-13,15,20,22H,5-6,11,14H2,1-4H3,(H,25,29)/t20-,22-/m0/s1
InChIKeyUHUBNNZUKWQZOJ-UNMCSNQZSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-2-yl)ethyl]carbamate
CID 11523212
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-1-yl)ethyl]carbamate
CID 11710096
naphth-2-oyl-Val-DL-Pro-DL-Val-CF3
CID 44298619
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257204
(2S)-N-[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257219
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257274
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257288
2-methylpropyl N-[(2S)-1-[(2S)-2-({1-[({[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 6481504
2-naphthalen-1-yl-N-[1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]acetamide
CID 4876341
cyclo[D-1Nal-Ile-D-Pip-Lys-D-N(Me)Phe-Pro]
CID 10056189
cyclo[D-2Nal-Ile-D-Pip-Lys-D-N(Me)Phe-Pro]
CID 10373199
{(R)-2-[(S)-2-((S)-1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-1-naphthalen-1-yl-2-oxo-ethyl}-carbamic acid tert-butyl ester
CID 10414868

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 58195194) is methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2cc(C)ccc2c1)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is UHUBNNZUKWQZOJ-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-15(2)22(25-24(29)30-4)23(28)26-11-5-6-20(26)21(27)14-17-8-10-18-12-16(3)7-9-19(18)13-17/h7-10,12-13,15,20,22H,5-6,11,14H2,1-4H3,(H,25,29)/t20-,22-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 410.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-[(2S)-2-[2-(6-methylnaphthalen-2-yl)acetyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58195194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).