(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone

C16H26N2O2 — CID 11173505

IUPAC(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1
InChIKeyCAGADINTGSAKNC-JBICGJHZSA-N
MW278.40 g/mol
LogP1.27
Rot. Bonds2

About (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone

(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone (PubChem CID 11173505) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
PubChem CID11173505
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1
InChIKeyCAGADINTGSAKNC-JBICGJHZSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-thia-4-azabicyclo[3.1.0]hexan-4-yl)ethanone
CID 23596419
2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 126710006
2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
CID 23596409
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 175673320
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 59264906
(3S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 90287705
(1R,3S,5R)-2-[2-amino-2-[(5S)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 134694638
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
(5S)-4-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-4-azaspiro[2.4]heptane-5-carbonitrile
CID 163846804
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;dihydrate;hydrochloride
CID 56953550
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-6,6-dideuterio-2-azabicyclo[3.1.0]hexane-3-(15N)carbonitrile
CID 119057257
3-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 176748817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone (CID 11173505) is (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone is N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is CAGADINTGSAKNC-JBICGJHZSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone?
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 278.40 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11173505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).