1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

C15H27N3O5 — CID 112544888

IUPAC1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NC(=O)OC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H27N3O5/c1-10(19)16-5-6-18-8-11(13(20)21)7-12(9-18)17-14(22)23-15(2,3)4/h11-12H,5-9H2,1-4H3,(H,16,19)(H,17,22)(H,20,21)
InChIKeyADWRGUYBVSHPDC-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.42
Rot. Bonds5

About 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (PubChem CID 112544888) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
PubChem CID112544888
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NC(=O)OC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H27N3O5/c1-10(19)16-5-6-18-8-11(13(20)21)7-12(9-18)17-14(22)23-15(2,3)4/h11-12H,5-9H2,1-4H3,(H,16,19)(H,17,22)(H,20,21)
InChIKeyADWRGUYBVSHPDC-UHFFFAOYSA-N
XLogP0.42
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993434
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 163232065
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (CID 112544888) is 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is CC(=O)NCCN1CC(NC(=O)OC(C)(C)C)CC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The InChIKey is ADWRGUYBVSHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-10(19)16-5-6-18-8-11(13(20)21)7-12(9-18)17-14(22)23-15(2,3)4/h11-12H,5-9H2,1-4H3,(H,16,19)(H,17,22)(H,20,21).
What are the key properties of 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is sourced from PubChem (CID 112544888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).