(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride

C13H23ClN2O — CID 119261551

IUPAC(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-8(14)12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11H,2-7,14H2,1H3,(H,15,16);1H/t8-,9?,10?,11?,13?;/m0./s1
InChIKeyOPEJUQLJJBLPQS-XKGNMVIWSA-N
MW258.79 g/mol
LogP1.84
Rot. Bonds2

About (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride

(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride (PubChem CID 119261551) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
PubChem CID119261551
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-8(14)12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11H,2-7,14H2,1H3,(H,15,16);1H/t8-,9?,10?,11?,13?;/m0./s1
InChIKeyOPEJUQLJJBLPQS-XKGNMVIWSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 75361457
(2S)-N-(1-adamantyl)-2-[formyl(methyl)amino]-3-methylbutanamide
CID 134831249
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 8020130
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
CID 7321356
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride?
The IUPAC name of (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride (CID 119261551) is (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride is C[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride?
The InChIKey is OPEJUQLJJBLPQS-XKGNMVIWSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-8(14)12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11H,2-7,14H2,1H3,(H,15,16);1H/t8-,9?,10?,11?,13?;/m0./s1.
What are the key properties of (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride?
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119261551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).