2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid

C14H21NO4 — CID 46865925

IUPAC2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid
SMILESNC12CC3CC(CC(=O)O)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H21NO4/c15-14-3-9-1-12(7-14,4-10(16)17)6-13(2-9,8-14)5-11(18)19/h9H,1-8,15H2,(H,16,17)(H,18,19)
InChIKeyGPQSQZRVFISFQS-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid

2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid (PubChem CID 46865925) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid
PubChem CID46865925
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid
SMILESNC12CC3CC(CC(=O)O)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H21NO4/c15-14-3-9-1-12(7-14,4-10(16)17)6-13(2-9,8-14)5-11(18)19/h9H,1-8,15H2,(H,16,17)(H,18,19)
InChIKeyGPQSQZRVFISFQS-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
CID 6939156
3-[(1S,5R)-3-amino-5-(2-carboxyethyl)-1-adamantyl]propanoic acid;hydrochloride
CID 72702350
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
2-(3-ethyl-1-adamantyl)acetic acid
CID 3855143
(3-amino-5-methyl-1-adamantyl)methanol
CID 2850520
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
[3-(3-amino-5-ethyl-1-adamantyl)-2-methylpropyl] nitrate
CID 134554612
2-(3-nitrooxy-1-adamantyl)acetic acid
CID 3542998
CID 59046026
CID 59046026
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
3,5-dimethyladamantan-1-amine carbonate
CID 56847323
acetic acid;adamantan-1-amine;azane;platinum;dichloride
CID 162064090

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid?
The IUPAC name of 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid (CID 46865925) is 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid is NC12CC3CC(CC(=O)O)(C1)CC(CC(=O)O)(C3)C2.
What is the InChIKey of 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid?
The InChIKey is GPQSQZRVFISFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c15-14-3-9-1-12(7-14,4-10(16)17)6-13(2-9,8-14)5-11(18)19/h9H,1-8,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid?
2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid is sourced from PubChem (CID 46865925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).