(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one

C19H24N2O — CID 141177855

IUPAC(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one
SMILESN[C@@H](CC1CCCC1)C(=O)c1c[nH]cc1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c20-18(11-15-8-4-5-9-15)19(22)17-13-21-12-16(17)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,18,21H,4-5,8-11,20H2/t18-/m0/s1
InChIKeyAAFLAYQMFLGTGH-SFHVURJKSA-N
MW296.41 g/mol
LogP3.70
Rot. Bonds6

About (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one

(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one (PubChem CID 141177855) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one
PubChem CID141177855
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one
SMILESN[C@@H](CC1CCCC1)C(=O)c1c[nH]cc1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c20-18(11-15-8-4-5-9-15)19(22)17-13-21-12-16(17)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,18,21H,4-5,8-11,20H2/t18-/m0/s1
InChIKeyAAFLAYQMFLGTGH-SFHVURJKSA-N
XLogP3.70
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101260297
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benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
3,4-dibenzyl-1H-pyrrole
CID 4984366
(2S)-2-amino-3-cyclohexyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 166276680
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 138023187
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
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cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one (CID 141177855) is (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one is N[C@@H](CC1CCCC1)C(=O)c1c[nH]cc1Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one?
The InChIKey is AAFLAYQMFLGTGH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O/c20-18(11-15-8-4-5-9-15)19(22)17-13-21-12-16(17)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,18,21H,4-5,8-11,20H2/t18-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one?
(2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-benzyl-1H-pyrrol-3-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 141177855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).