1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid

C14H24N2O4 — CID 112543441

IUPAC1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CC(NC(=O)OC)CC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-12(9-4-5-9)16-7-10(13(17)18)6-11(8-16)15-14(19)20-2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMGPAGQACFGBSEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds5

About 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid

1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112543441) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112543441
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CC(NC(=O)OC)CC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-12(9-4-5-9)16-7-10(13(17)18)6-11(8-16)15-14(19)20-2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMGPAGQACFGBSEL-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544082
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
CID 112543128

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (CID 112543441) is 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is CCC(C1CC1)N1CC(NC(=O)OC)CC(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is MGPAGQACFGBSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-12(9-4-5-9)16-7-10(13(17)18)6-11(8-16)15-14(19)20-2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112543441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).