2-(adamantane-2-carbonylamino)propanoic acid

C14H21NO3 — CID 81095759

IUPAC2-(adamantane-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C14H21NO3/c1-7(14(17)18)15-13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyBJTFDYWKHBIZSA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds3

About 2-(adamantane-2-carbonylamino)propanoic acid

2-(adamantane-2-carbonylamino)propanoic acid (PubChem CID 81095759) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(adamantane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(adamantane-2-carbonylamino)propanoic acid
PubChem CID81095759
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(adamantane-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C14H21NO3/c1-7(14(17)18)15-13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyBJTFDYWKHBIZSA-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
2-(2-adamantylamino)propanoic acid
CID 61499688
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
N-(1-bromo-4-methylpentan-3-yl)adamantane-2-carboxamide
CID 106355336
(2S)-2-[[(2R)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoate
CID 8008975
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477984
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide
CID 81096560
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-propyladamantane-2-carboxamide
CID 78913673

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-2-carbonylamino)propanoic acid?
The IUPAC name of 2-(adamantane-2-carbonylamino)propanoic acid (CID 81095759) is 2-(adamantane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(adamantane-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-(adamantane-2-carbonylamino)propanoic acid is CC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)O.
What is the InChIKey of 2-(adamantane-2-carbonylamino)propanoic acid?
The InChIKey is BJTFDYWKHBIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-7(14(17)18)15-13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(adamantane-2-carbonylamino)propanoic acid?
2-(adamantane-2-carbonylamino)propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 81095759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).