(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

C12H23N3O2 — CID 50963847

IUPAC(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)NCC2(O)CCCCC2)C1
InChIInChI=1S/C12H23N3O2/c13-9-6-10(14-7-9)11(16)15-8-12(17)4-2-1-3-5-12/h9-10,14,17H,1-8,13H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyWTAMAZOTDPKACJ-ZJUUUORDSA-N
MW241.33 g/mol
LogP-0.51
Rot. Bonds3

About (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 50963847) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID50963847
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)NCC2(O)CCCCC2)C1
InChIInChI=1S/C12H23N3O2/c13-9-6-10(14-7-9)11(16)15-8-12(17)4-2-1-3-5-12/h9-10,14,17H,1-8,13H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyWTAMAZOTDPKACJ-ZJUUUORDSA-N
XLogP-0.51
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 50963847) is (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is N[C@H]1CN[C@H](C(=O)NCC2(O)CCCCC2)C1.
What is the InChIKey of (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is WTAMAZOTDPKACJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-9-6-10(14-7-9)11(16)15-8-12(17)4-2-1-3-5-12/h9-10,14,17H,1-8,13H2,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50963847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).