(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one

C14H24N2O2 — CID 118551733

IUPAC(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one
SMILESC=C1C=C(OC)[C@H](CCC)N1C(=O)[C@H](N)CCC
InChIInChI=1S/C14H24N2O2/c1-5-7-11(15)14(17)16-10(3)9-13(18-4)12(16)8-6-2/h9,11-12H,3,5-8,15H2,1-2,4H3/t11-,12+/m1/s1
InChIKeyHUSURBPVJBEHCV-NEPJUHHUSA-N
MW252.36 g/mol
LogP2.17
Rot. Bonds6

About (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one

(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one (PubChem CID 118551733) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one
PubChem CID118551733
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one
SMILESC=C1C=C(OC)[C@H](CCC)N1C(=O)[C@H](N)CCC
InChIInChI=1S/C14H24N2O2/c1-5-7-11(15)14(17)16-10(3)9-13(18-4)12(16)8-6-2/h9,11-12H,3,5-8,15H2,1-2,4H3/t11-,12+/m1/s1
InChIKeyHUSURBPVJBEHCV-NEPJUHHUSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one (CID 118551733) is (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one is C=C1C=C(OC)[C@H](CCC)N1C(=O)[C@H](N)CCC.
What is the InChIKey of (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one?
The InChIKey is HUSURBPVJBEHCV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-7-11(15)14(17)16-10(3)9-13(18-4)12(16)8-6-2/h9,11-12H,3,5-8,15H2,1-2,4H3/t11-,12+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one?
(2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one has a molecular weight of 252.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2S)-3-methoxy-5-methylidene-2-propyl-2H-pyrrol-1-yl]pentan-1-one is sourced from PubChem (CID 118551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).