1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid

C11H18N2O3 — CID 39246836

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C11H18N2O3/c14-10(12-9-1-2-9)7-13-5-3-8(4-6-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyXCWOIHHWBSYVLK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds4

About 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 39246836) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID39246836
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C11H18N2O3/c14-10(12-9-1-2-9)7-13-5-3-8(4-6-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyXCWOIHHWBSYVLK-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335073
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 171701231

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 39246836) is 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is XCWOIHHWBSYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(12-9-1-2-9)7-13-5-3-8(4-6-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 39246836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).