(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

C12H22N2O2 — CID 65106487

IUPAC(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-11(10-5-4-8-13-10)14-9-12(16)6-2-1-3-7-12/h10,13,16H,1-9H2,(H,14,15)/t10-/m0/s1
InChIKeyVNDLZGJPXFCCMO-JTQLQIEISA-N
MW226.32 g/mol
LogP0.55
Rot. Bonds3

About (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 65106487) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID65106487
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-11(10-5-4-8-13-10)14-9-12(16)6-2-1-3-7-12/h10,13,16H,1-9H2,(H,14,15)/t10-/m0/s1
InChIKeyVNDLZGJPXFCCMO-JTQLQIEISA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 65106487) is (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1(O)CCCCC1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VNDLZGJPXFCCMO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(10-5-4-8-13-10)14-9-12(16)6-2-1-3-7-12/h10,13,16H,1-9H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 65106487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).