3-(1-adamantylamino)-2-aminopropanoic acid

C13H22N2O2 — CID 103231283

IUPAC3-(1-adamantylamino)-2-aminopropanoic acid
SMILESNC(CNC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C13H22N2O2/c14-11(12(16)17)7-15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,15H,1-7,14H2,(H,16,17)
InChIKeyPCDBMXTUFIEPOE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds4

About 3-(1-adamantylamino)-2-aminopropanoic acid

3-(1-adamantylamino)-2-aminopropanoic acid (PubChem CID 103231283) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(1-adamantylamino)-2-aminopropanoic acid.

Molecular Properties

Compound Name3-(1-adamantylamino)-2-aminopropanoic acid
PubChem CID103231283
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(1-adamantylamino)-2-aminopropanoic acid
SMILESNC(CNC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C13H22N2O2/c14-11(12(16)17)7-15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,15H,1-7,14H2,(H,16,17)
InChIKeyPCDBMXTUFIEPOE-UHFFFAOYSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
CID 140659618
CID 140659618
(2S)-2-amino-3-[5-(3-sulfopropylamino)-2-adamantyl]propanoic acid
CID 58724692
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
(2S)-3-(1-adamantylamino)-2-fluoropropane-1-sulfonic acid
CID 58691917
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
CID 103249131
(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol
CID 134815023
1-(1-adamantyl)-2-(1-adamantylamino)ethanone
CID 3292373
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66007247

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylamino)-2-aminopropanoic acid?
The IUPAC name of 3-(1-adamantylamino)-2-aminopropanoic acid (CID 103231283) is 3-(1-adamantylamino)-2-aminopropanoic acid.
What is the SMILES notation for 3-(1-adamantylamino)-2-aminopropanoic acid?
The canonical SMILES for 3-(1-adamantylamino)-2-aminopropanoic acid is NC(CNC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of 3-(1-adamantylamino)-2-aminopropanoic acid?
The InChIKey is PCDBMXTUFIEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-11(12(16)17)7-15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,15H,1-7,14H2,(H,16,17).
What are the key properties of 3-(1-adamantylamino)-2-aminopropanoic acid?
3-(1-adamantylamino)-2-aminopropanoic acid has a molecular weight of 238.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylamino)-2-aminopropanoic acid is sourced from PubChem (CID 103231283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).