4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid

C10H18N2O3 — CID 66677317

IUPAC4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)CC1OCC1CC1
InChIInChI=1S/C10H18N2O3/c11-8-3-4-12(10(13)14)5-9(8)15-6-7-1-2-7/h7-9H,1-6,11H2,(H,13,14)
InChIKeyDTQPKKURLHAXPI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.49
Rot. Bonds3

About 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid

4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid (PubChem CID 66677317) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
PubChem CID66677317
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)CC1OCC1CC1
InChIInChI=1S/C10H18N2O3/c11-8-3-4-12(10(13)14)5-9(8)15-6-7-1-2-7/h7-9H,1-6,11H2,(H,13,14)
InChIKeyDTQPKKURLHAXPI-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
1-[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 97477683
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
trans-(1S,2S)-2-(cyclopropylmethoxy)cyclopentan-1-amine
CID 28798081
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
CID 68917918
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid (CID 66677317) is 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid is NC1CCN(C(=O)O)CC1OCC1CC1.
What is the InChIKey of 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is DTQPKKURLHAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8-3-4-12(10(13)14)5-9(8)15-6-7-1-2-7/h7-9H,1-6,11H2,(H,13,14).
What are the key properties of 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid?
4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 66677317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).