3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid

C11H19N3O5 — CID 112543175

IUPAC3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
SMILESCOC(=O)NC1CC(CCC(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C11H19N3O5/c1-19-11(18)13-8-4-7(2-3-9(15)16)5-14(6-8)10(12)17/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16)
InChIKeySTTJZNMEWKGDQJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.02
Rot. Bonds4

About 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid

3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid (PubChem CID 112543175) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
PubChem CID112543175
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
SMILESCOC(=O)NC1CC(CCC(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C11H19N3O5/c1-19-11(18)13-8-4-7(2-3-9(15)16)5-14(6-8)10(12)17/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16)
InChIKeySTTJZNMEWKGDQJ-UHFFFAOYSA-N
XLogP-0.02
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic 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

3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543531
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
CID 112545003
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723

Frequently Asked Questions

What is the IUPAC name of 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid (CID 112543175) is 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid is COC(=O)NC1CC(CCC(=O)O)CN(C(N)=O)C1.
What is the InChIKey of 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid?
The InChIKey is STTJZNMEWKGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-19-11(18)13-8-4-7(2-3-9(15)16)5-14(6-8)10(12)17/h7-8H,2-6H2,1H3,(H2,12,17)(H,13,18)(H,15,16).
What are the key properties of 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid?
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 112543175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).