[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid

C15H23N3O2 — CID 70654626

IUPAC[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
SMILESCC(C)[C@@H]1C[C@@H](NC(=O)O)C[C@H](c2ccncc2N)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20)/t10-,11+,12+/m0/s1
InChIKeyJVYQSYLAYKAINW-QJPTWQEYSA-N
MW277.37 g/mol
LogP2.84
Rot. Bonds3

About [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid

[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid (PubChem CID 70654626) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
PubChem CID70654626
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
SMILESCC(C)[C@@H]1C[C@@H](NC(=O)O)C[C@H](c2ccncc2N)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20)/t10-,11+,12+/m0/s1
InChIKeyJVYQSYLAYKAINW-QJPTWQEYSA-N
XLogP2.84
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The IUPAC name of [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid (CID 70654626) is [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The canonical SMILES for [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid is CC(C)[C@@H]1C[C@@H](NC(=O)O)C[C@H](c2ccncc2N)C1.
What is the InChIKey of [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
The InChIKey is JVYQSYLAYKAINW-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)10-5-11(7-12(6-10)18-15(19)20)13-3-4-17-8-14(13)16/h3-4,8-12,18H,5-7,16H2,1-2H3,(H,19,20)/t10-,11+,12+/m0/s1.
What are the key properties of [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid?
[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid has a molecular weight of 277.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid is sourced from PubChem (CID 70654626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).