1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid

C16H26N2O2 — CID 107324377

IUPAC1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O2/c17-16(14(19)20)1-2-18(10-16)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,1-10,17H2,(H,19,20)
InChIKeyCXWJQKUAESWLCE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds3

About 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid

1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid (PubChem CID 107324377) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid
PubChem CID107324377
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O2/c17-16(14(19)20)1-2-18(10-16)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,1-10,17H2,(H,19,20)
InChIKeyCXWJQKUAESWLCE-UHFFFAOYSA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
CID 63030675
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
CID 64617514
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324268
3-amino-1-(2,2-diethoxyethyl)pyrrolidine-3-carboxylic acid
CID 107324566

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid (CID 107324377) is 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid?
The InChIKey is CXWJQKUAESWLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-16(14(19)20)1-2-18(10-16)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-13H,1-10,17H2,(H,19,20).
What are the key properties of 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid?
1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).