4-[adamantane-2-carbonyl(methyl)amino]butanoic acid

C16H25NO3 — CID 78980362

IUPAC4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO3/c1-17(4-2-3-14(18)19)16(20)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyYWQGSFBONNTGNM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds5

About 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid

4-[adamantane-2-carbonyl(methyl)amino]butanoic acid (PubChem CID 78980362) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
PubChem CID78980362
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO3/c1-17(4-2-3-14(18)19)16(20)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeyYWQGSFBONNTGNM-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[adamantane-2-carbonyl(methyl)amino]butanoate
CID 78915778
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
2-[adamantane-2-carbonyl(propyl)amino]acetic acid
CID 81096544
N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
CID 81098696
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
CID 79207976
4-[methyl(thiane-2-carbonyl)amino]butanoic acid
CID 80594247
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[2-adamantyl(methyl)sulfamoyl]butanoic acid
CID 60950357
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
N-butyl-N-ethyladamantane-2-carboxamide
CID 86910306

Frequently Asked Questions

What is the IUPAC name of 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid (CID 78980362) is 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid?
The InChIKey is YWQGSFBONNTGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(4-2-3-14(18)19)16(20)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid?
4-[adamantane-2-carbonyl(methyl)amino]butanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[adamantane-2-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 78980362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).