(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate

C17H26NO3- — CID 7128707

IUPAC(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]
InChIInChI=1S/C17H27NO3/c1-10(2)3-14(15(19)20)18-16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,3-9H2,1-2H3,(H,18,21)(H,19,20)/p-1/t11?,12?,13?,14-,17?/m1/s1
InChIKeyJOUXQDDDDNUCGU-DLUQRMLASA-M
MW292.40 g/mol
LogP1.48
Rot. Bonds5

About (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate

(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate (PubChem CID 7128707) has the molecular formula C17H26NO3- and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Name(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate
PubChem CID7128707
Molecular FormulaC17H26NO3-
Molecular Weight292.40 g/mol
Exact Mass292.19
IUPAC Name(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]
InChIInChI=1S/C17H27NO3/c1-10(2)3-14(15(19)20)18-16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,3-9H2,1-2H3,(H,18,21)(H,19,20)/p-1/t11?,12?,13?,14-,17?/m1/s1
InChIKeyJOUXQDDDDNUCGU-DLUQRMLASA-M
XLogP1.48
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
2-[(adamantane-1-carbonylamino)methyl]-4-methylpentanoic acid
CID 119252787
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-(1-cyanopropan-2-yl)adamantane-1-carboxamide
CID 55032517
(2R)-2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoic acid
CID 7128712
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate?
The IUPAC name of (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate (CID 7128707) is (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate.
What is the SMILES notation for (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate?
The canonical SMILES for (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate is CC(C)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-].
What is the InChIKey of (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate?
The InChIKey is JOUXQDDDDNUCGU-DLUQRMLASA-M. The full InChI is InChI=1S/C17H27NO3/c1-10(2)3-14(15(19)20)18-16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,3-9H2,1-2H3,(H,18,21)(H,19,20)/p-1/t11?,12?,13?,14-,17?/m1/s1.
What are the key properties of (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate?
(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate has a molecular weight of 292.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate is sourced from PubChem (CID 7128707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).