1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid

C10H19N3O4 — CID 112543589

IUPAC1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCOC(=O)NC1CC(C(=O)O)CN(CCN)C1
InChIInChI=1S/C10H19N3O4/c1-17-10(16)12-8-4-7(9(14)15)5-13(6-8)3-2-11/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyVFGUBRRHGWCJLR-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.92
Rot. Bonds4

About 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid

1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112543589) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112543589
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCOC(=O)NC1CC(C(=O)O)CN(CCN)C1
InChIInChI=1S/C10H19N3O4/c1-17-10(16)12-8-4-7(9(14)15)5-13(6-8)3-2-11/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyVFGUBRRHGWCJLR-UHFFFAOYSA-N
XLogP-0.92
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544166
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (CID 112543589) is 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is COC(=O)NC1CC(C(=O)O)CN(CCN)C1.
What is the InChIKey of 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is VFGUBRRHGWCJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-17-10(16)12-8-4-7(9(14)15)5-13(6-8)3-2-11/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112543589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).