methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate

C24H30N2O4 — CID 26281257

IUPACmethyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)22(23(29)30-3)25-20(27)10-12-24(13-11-21(28)26-24)15-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14,16,22H,10-13,15H2,1-3H3,(H,25,27)(H,26,28)/t22-,24+/m0/s1
InChIKeyMXLZIUHVJCPWHB-LADGPHEKSA-N
MW410.51 g/mol
LogP3.13
Rot. Bonds8

About methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate

methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate (PubChem CID 26281257) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
PubChem CID26281257
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)22(23(29)30-3)25-20(27)10-12-24(13-11-21(28)26-24)15-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14,16,22H,10-13,15H2,1-3H3,(H,25,27)(H,26,28)/t22-,24+/m0/s1
InChIKeyMXLZIUHVJCPWHB-LADGPHEKSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
N-[(4R)-2,2-dimethyloxan-4-yl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383086
N-[(4S)-2,2-dimethyloxan-4-yl]-3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383079
3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
CID 42276944
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-1-naphthalen-1-ylethyl]propanamide
CID 42325254
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42210774
3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42346776
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45195292
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135907220
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 42405365

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate?
The IUPAC name of methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate (CID 26281257) is methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate is COC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)C(C)C.
What is the InChIKey of methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate?
The InChIKey is MXLZIUHVJCPWHB-LADGPHEKSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)22(23(29)30-3)25-20(27)10-12-24(13-11-21(28)26-24)15-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14,16,22H,10-13,15H2,1-3H3,(H,25,27)(H,26,28)/t22-,24+/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate?
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate has a molecular weight of 410.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate is sourced from PubChem (CID 26281257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).