(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate

C16H24NO3- — CID 7321356

IUPAC(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
SMILESC[C@@H](CC(=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-10(3-15(19)20)2-14(18)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,2-9H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11?,12?,13?,16?/m1/s1
InChIKeyQVJLTJZUADLGRZ-GYPVXTSCSA-M
MW278.37 g/mol
LogP1.24
Rot. Bonds5

About (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate

(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate (PubChem CID 7321356) has the molecular formula C16H24NO3- and a molecular weight of 278.37 g/mol. Its IUPAC name is (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate.

Molecular Properties

Compound Name(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
PubChem CID7321356
Molecular FormulaC16H24NO3-
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
SMILESC[C@@H](CC(=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-10(3-15(19)20)2-14(18)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,2-9H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11?,12?,13?,16?/m1/s1
InChIKeyQVJLTJZUADLGRZ-GYPVXTSCSA-M
XLogP1.24
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-3-(ethylamino)butanamide
CID 62838414
(2R)-2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbutanedioate
CID 2374958
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)hexanamide
CID 4687392
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate?
The IUPAC name of (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate (CID 7321356) is (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate.
What is the SMILES notation for (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate?
The canonical SMILES for (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate is C[C@@H](CC(=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate?
The InChIKey is QVJLTJZUADLGRZ-GYPVXTSCSA-M. The full InChI is InChI=1S/C16H25NO3/c1-10(3-15(19)20)2-14(18)17-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,2-9H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11?,12?,13?,16?/m1/s1.
What are the key properties of (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate?
(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate has a molecular weight of 278.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate is sourced from PubChem (CID 7321356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).