3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide

C16H23N3O2 — CID 124752089

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1)NC[C@]1(O)CCNC1
InChIInChI=1S/C16H23N3O2/c20-15(18-12-16(21)6-7-17-11-16)5-8-19-9-13-3-1-2-4-14(13)10-19/h1-4,17,21H,5-12H2,(H,18,20)/t16-/m0/s1
InChIKeyIKUUQNBIFNFOML-INIZCTEOSA-N
MW289.38 g/mol
LogP0.23
Rot. Bonds5

About 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide

3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide (PubChem CID 124752089) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
PubChem CID124752089
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1)NC[C@]1(O)CCNC1
InChIInChI=1S/C16H23N3O2/c20-15(18-12-16(21)6-7-17-11-16)5-8-19-9-13-3-1-2-4-14(13)10-19/h1-4,17,21H,5-12H2,(H,18,20)/t16-/m0/s1
InChIKeyIKUUQNBIFNFOML-INIZCTEOSA-N
XLogP0.23
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride
CID 154903606
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 111445552
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 56911658
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide (CID 124752089) is 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide is O=C(CCN1Cc2ccccc2C1)NC[C@]1(O)CCNC1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide?
The InChIKey is IKUUQNBIFNFOML-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(18-12-16(21)6-7-17-11-16)5-8-19-9-13-3-1-2-4-14(13)10-19/h1-4,17,21H,5-12H2,(H,18,20)/t16-/m0/s1.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide?
3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 124752089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).