(2R)-2-(1-adamantylamino)propanamide

C13H22N2O — CID 9358538

IUPAC(2R)-2-(1-adamantylamino)propanamide
SMILESC[C@@H](NC12CC3CC(CC(C3)C1)C2)C(N)=O
InChIInChI=1S/C13H22N2O/c1-8(12(14)16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11,15H,2-7H2,1H3,(H2,14,16)/t8-,9?,10?,11?,13?/m1/s1
InChIKeyPDCQWMSJVLOADC-SEOMOHDOSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds3

About (2R)-2-(1-adamantylamino)propanamide

(2R)-2-(1-adamantylamino)propanamide (PubChem CID 9358538) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R)-2-(1-adamantylamino)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-adamantylamino)propanamide
PubChem CID9358538
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2R)-2-(1-adamantylamino)propanamide
SMILESC[C@@H](NC12CC3CC(CC(C3)C1)C2)C(N)=O
InChIInChI=1S/C13H22N2O/c1-8(12(14)16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11,15H,2-7H2,1H3,(H2,14,16)/t8-,9?,10?,11?,13?/m1/s1
InChIKeyPDCQWMSJVLOADC-SEOMOHDOSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2R)-2-(1-adamantylamino)propanoyl]amino]benzamide
CID 9358575
methyl 2-(1-adamantylamino)-3,3-dimethylbutanoate
CID 134907868
2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
CID 70525971
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 84990626
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
4-(1-adamantylamino)-5-oxohexanoic acid
CID 56985217
adamantane-1-carboxamide
CID 21686
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantylamino)propanamide?
The IUPAC name of (2R)-2-(1-adamantylamino)propanamide (CID 9358538) is (2R)-2-(1-adamantylamino)propanamide.
What is the SMILES notation for (2R)-2-(1-adamantylamino)propanamide?
The canonical SMILES for (2R)-2-(1-adamantylamino)propanamide is C[C@@H](NC12CC3CC(CC(C3)C1)C2)C(N)=O.
What is the InChIKey of (2R)-2-(1-adamantylamino)propanamide?
The InChIKey is PDCQWMSJVLOADC-SEOMOHDOSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(12(14)16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11,15H,2-7H2,1H3,(H2,14,16)/t8-,9?,10?,11?,13?/m1/s1.
What are the key properties of (2R)-2-(1-adamantylamino)propanamide?
(2R)-2-(1-adamantylamino)propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantylamino)propanamide is sourced from PubChem (CID 9358538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).