(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid

C15H23NO4 — CID 51885575

IUPAC(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@H](CO)C(=O)O
InChIInChI=1S/C15H23NO4/c17-8-12(14(19)20)16-13(18)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,17H,1-8H2,(H,16,18)(H,19,20)/t9?,10?,11?,12-,15?/m1/s1
InChIKeyCPQREZQJIQHREM-RDZWNTDESA-N
MW281.35 g/mol
LogP1.15
Rot. Bonds5

About (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 51885575) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID51885575
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@H](CO)C(=O)O
InChIInChI=1S/C15H23NO4/c17-8-12(14(19)20)16-13(18)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,17H,1-8H2,(H,16,18)(H,19,20)/t9?,10?,11?,12-,15?/m1/s1
InChIKeyCPQREZQJIQHREM-RDZWNTDESA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
CID 75257795
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 46997008
2-(1-adamantyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 46986938
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
N,2-bis(1-adamantyl)acetamide
CID 3906383
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid (CID 51885575) is (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid is O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is CPQREZQJIQHREM-RDZWNTDESA-N. The full InChI is InChI=1S/C15H23NO4/c17-8-12(14(19)20)16-13(18)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,17H,1-8H2,(H,16,18)(H,19,20)/t9?,10?,11?,12-,15?/m1/s1.
What are the key properties of (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 51885575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).