benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate

C19H27N3O5 — CID 67778403

IUPACbenzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(N)CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(24)16(20)11-21-17(23)15-9-6-10-22(12-15)19(25)27-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,20H2,1H3,(H,21,23)/t15-,16?/m1/s1
InChIKeyWYQNIPXFJJWABU-AAFJCEBUSA-N
MW377.44 g/mol
LogP1.04
Rot. Bonds7

About benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate

benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 67778403) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
PubChem CID67778403
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namebenzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(N)CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(24)16(20)11-21-17(23)15-9-6-10-22(12-15)19(25)27-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,20H2,1H3,(H,21,23)/t15-,16?/m1/s1
InChIKeyWYQNIPXFJJWABU-AAFJCEBUSA-N
XLogP1.04
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
2-amino-3-[[(3R)-1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid;2-aminopropanoic acid;2,2,2-trifluoroacetic acid
CID 70111160
benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 154865844
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678502
(2S)-2-acetamido-3-[[(3R)-1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 86584072
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110678516
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate (CID 67778403) is benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)C(N)CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is WYQNIPXFJJWABU-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-2-26-18(24)16(20)11-21-17(23)15-9-6-10-22(12-15)19(25)27-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,20H2,1H3,(H,21,23)/t15-,16?/m1/s1.
What are the key properties of benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate?
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 67778403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).