4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid

C11H20N2O2 — CID 22047936

IUPAC4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNCC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)13-5-3-10(4-6-13)8-12-7-9-1-2-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyLTCVFVLFAMIGIL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.38
Rot. Bonds4

About 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid

4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 22047936) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
PubChem CID22047936
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNCC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)13-5-3-10(4-6-13)8-12-7-9-1-2-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyLTCVFVLFAMIGIL-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
CID 68917918
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
4-(4-hydroxybut-2-ynyl)piperidine-1-carboxylic acid
CID 66935458
4-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
CID 141094505
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017805
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 90746777
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid (CID 22047936) is 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNCC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is LTCVFVLFAMIGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)13-5-3-10(4-6-13)8-12-7-9-1-2-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid?
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22047936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).