2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid

C14H24N2O4 — CID 112544134

IUPAC2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
SMILESCCOC(=O)NC1CC(CC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)15-12-6-11(5-10-3-4-10)7-16(8-12)9-13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyWQGACGMMTKCNLP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds6

About 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid

2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid (PubChem CID 112544134) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
PubChem CID112544134
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
SMILESCCOC(=O)NC1CC(CC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-2-20-14(19)15-12-6-11(5-10-3-4-10)7-16(8-12)9-13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyWQGACGMMTKCNLP-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544027
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid (CID 112544134) is 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid is CCOC(=O)NC1CC(CC2CC2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid?
The InChIKey is WQGACGMMTKCNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-20-14(19)15-12-6-11(5-10-3-4-10)7-16(8-12)9-13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid?
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 112544134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).