methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate

C19H23N3O3 — CID 163668968

IUPACmethyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate
SMILESCC[C@H](C)C(NC(=O)Nc1ccccc1-c1cccnc1)C(=O)OC
InChIInChI=1S/C19H23N3O3/c1-4-13(2)17(18(23)25-3)22-19(24)21-16-10-6-5-9-15(16)14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H2,21,22,24)/t13-,17?/m0/s1
InChIKeyJAVXZIWRQYNSHM-CWQZNGJJSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds6

About methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate

methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate (PubChem CID 163668968) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate
PubChem CID163668968
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate
SMILESCC[C@H](C)C(NC(=O)Nc1ccccc1-c1cccnc1)C(=O)OC
InChIInChI=1S/C19H23N3O3/c1-4-13(2)17(18(23)25-3)22-19(24)21-16-10-6-5-9-15(16)14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H2,21,22,24)/t13-,17?/m0/s1
InChIKeyJAVXZIWRQYNSHM-CWQZNGJJSA-N
XLogP3.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate?
The IUPAC name of methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate (CID 163668968) is methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate.
What is the SMILES notation for methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate?
The canonical SMILES for methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate is CC[C@H](C)C(NC(=O)Nc1ccccc1-c1cccnc1)C(=O)OC.
What is the InChIKey of methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate?
The InChIKey is JAVXZIWRQYNSHM-CWQZNGJJSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-13(2)17(18(23)25-3)22-19(24)21-16-10-6-5-9-15(16)14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H2,21,22,24)/t13-,17?/m0/s1.
What are the key properties of methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate?
methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate has a molecular weight of 341.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-methyl-2-[(2-pyridin-3-ylphenyl)carbamoylamino]pentanoate is sourced from PubChem (CID 163668968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).