4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride

C14H25ClN2O4 — CID 76854085

IUPAC4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC2)C(C(=O)O)C1.Cl
InChIInChI=1S/C14H24N2O4.ClH/c1-14(2,3)20-13(19)16-7-6-11(15-9-4-5-9)10(8-16)12(17)18;/h9-11,15H,4-8H2,1-3H3,(H,17,18);1H
InChIKeyFTZDGFUGHVRJSW-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.87
Rot. Bonds3

About 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride

4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 76854085) has the molecular formula C14H25ClN2O4 and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID76854085
Molecular FormulaC14H25ClN2O4
Molecular Weight320.82 g/mol
Exact Mass320.15
IUPAC Name4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC2)C(C(=O)O)C1.Cl
InChIInChI=1S/C14H24N2O4.ClH/c1-14(2,3)20-13(19)16-7-6-11(15-9-4-5-9)10(8-16)12(17)18;/h9-11,15H,4-8H2,1-3H3,(H,17,18);1H
InChIKeyFTZDGFUGHVRJSW-UHFFFAOYSA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 154574961
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(prop-2-enylamino)piperidine-3-carboxylic acid;hydrochloride
CID 76854057
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
CID 83866843
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[(2-methylthiolan-3-yl)amino]pyrrolidine-1-carboxylate
CID 102672017
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124669202
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride (CID 76854085) is 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(NC2CC2)C(C(=O)O)C1.Cl.
What is the InChIKey of 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is FTZDGFUGHVRJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4.ClH/c1-14(2,3)20-13(19)16-7-6-11(15-9-4-5-9)10(8-16)12(17)18;/h9-11,15H,4-8H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride?
4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 76854085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).