methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate

C18H26N2O3 — CID 16681789

IUPACmethyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
SMILESCCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C18H26N2O3/c1-3-15-11-7-8-12-20(15)18(22)19-16(17(21)23-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyRPCWQHGQLNTJFW-LYKKTTPLSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds5

About methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate

methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate (PubChem CID 16681789) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
PubChem CID16681789
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
SMILESCCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C18H26N2O3/c1-3-15-11-7-8-12-20(15)18(22)19-16(17(21)23-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyRPCWQHGQLNTJFW-LYKKTTPLSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate (CID 16681789) is methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate is CCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is RPCWQHGQLNTJFW-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-15-11-7-8-12-20(15)18(22)19-16(17(21)23-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3,(H,19,22)/t15?,16-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate?
methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 318.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 16681789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).