methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate

C19H27NO3 — CID 58226537

IUPACmethyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1c2ccccc2C[C@H]1C(C)C)C(C)C
InChIInChI=1S/C19H27NO3/c1-12(2)15(11-18(21)23-5)19(22)20-16-9-7-6-8-14(16)10-17(20)13(3)4/h6-9,12-13,15,17H,10-11H2,1-5H3/t15-,17-/m0/s1
InChIKeyNAUHPNMCHPAMCK-RDJZCZTQSA-N
MW317.43 g/mol
LogP3.44
Rot. Bonds5

About methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate

methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate (PubChem CID 58226537) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate
PubChem CID58226537
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1c2ccccc2C[C@H]1C(C)C)C(C)C
InChIInChI=1S/C19H27NO3/c1-12(2)15(11-18(21)23-5)19(22)20-16-9-7-6-8-14(16)10-17(20)13(3)4/h6-9,12-13,15,17H,10-11H2,1-5H3/t15-,17-/m0/s1
InChIKeyNAUHPNMCHPAMCK-RDJZCZTQSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate?
The IUPAC name of methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate (CID 58226537) is methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate.
What is the SMILES notation for methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate?
The canonical SMILES for methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate is COC(=O)C[C@H](C(=O)N1c2ccccc2C[C@H]1C(C)C)C(C)C.
What is the InChIKey of methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate?
The InChIKey is NAUHPNMCHPAMCK-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27NO3/c1-12(2)15(11-18(21)23-5)19(22)20-16-9-7-6-8-14(16)10-17(20)13(3)4/h6-9,12-13,15,17H,10-11H2,1-5H3/t15-,17-/m0/s1.
What are the key properties of methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate?
methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate has a molecular weight of 317.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-methyl-3-[(2S)-2-propan-2-yl-2,3-dihydroindole-1-carbonyl]pentanoate is sourced from PubChem (CID 58226537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).