2-(1-adamantyl)-3-aminobutanedioic acid

C14H21NO4 — CID 20976630

IUPAC2-(1-adamantyl)-3-aminobutanedioic acid
SMILESNC(C(=O)O)C(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO4/c15-11(13(18)19)10(12(16)17)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-11H,1-6,15H2,(H,16,17)(H,18,19)
InChIKeyNDOPXAZIVVHHIU-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.32
Rot. Bonds4

About 2-(1-adamantyl)-3-aminobutanedioic acid

2-(1-adamantyl)-3-aminobutanedioic acid (PubChem CID 20976630) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-3-aminobutanedioic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-3-aminobutanedioic acid
PubChem CID20976630
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1-adamantyl)-3-aminobutanedioic acid
SMILESNC(C(=O)O)C(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO4/c15-11(13(18)19)10(12(16)17)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-11H,1-6,15H2,(H,16,17)(H,18,19)
InChIKeyNDOPXAZIVVHHIU-UHFFFAOYSA-N
XLogP1.32
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-(1-adamantyl)propanedioic acid;methane
CID 158035094
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
(2S,3S)-2-(1-adamantyl)-3-azidobutanoic acid
CID 102455819
4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
CID 2941690
2-(1-adamantyl)but-3-ynoic acid
CID 23219350
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
(1R)-1-(1-adamantyl)ethanamine
CID 7048786

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3-aminobutanedioic acid?
The IUPAC name of 2-(1-adamantyl)-3-aminobutanedioic acid (CID 20976630) is 2-(1-adamantyl)-3-aminobutanedioic acid.
What is the SMILES notation for 2-(1-adamantyl)-3-aminobutanedioic acid?
The canonical SMILES for 2-(1-adamantyl)-3-aminobutanedioic acid is NC(C(=O)O)C(C(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-3-aminobutanedioic acid?
The InChIKey is NDOPXAZIVVHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c15-11(13(18)19)10(12(16)17)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-11H,1-6,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-(1-adamantyl)-3-aminobutanedioic acid?
2-(1-adamantyl)-3-aminobutanedioic acid has a molecular weight of 267.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3-aminobutanedioic acid is sourced from PubChem (CID 20976630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).