4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid

C21H32N2O4 — CID 45272365

IUPAC4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C21H32N2O4/c1-20(2,10-16(24)22-15-3-4-15)11-17(25)23-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)27/h12-15,18H,3-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyAOPXWZBVYOUGAH-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.47
Rot. Bonds7

About 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid

4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid (PubChem CID 45272365) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid
PubChem CID45272365
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C21H32N2O4/c1-20(2,10-16(24)22-15-3-4-15)11-17(25)23-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)27/h12-15,18H,3-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyAOPXWZBVYOUGAH-UHFFFAOYSA-N
XLogP2.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid with MolForge

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Related Compounds

[1-(Adamantan-2-ylcarbamoylmethyl)-cyclopentyl]-acetic acid
CID 24947239
3-[1-(Acetylamino)ethyl]-1-adamantanecarboxylic acid
CID 2940952
3-[(Acetylamino)methyl]adamantane-1-carboxylic acid
CID 3240988
cis,cis-1,3,5-Trimethyl-3,5-bis[(s)-1-cyclohexyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129691092
4-[[3-(Trifluoromethyl)adamantane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120184819
4-(2,2,2-Trifluoroacetamido)adamantane-1-carboxylic acid
CID 165934235
(5R,7S)-3-[(1S)-1-acetamidoethyl]adamantane-1-carboxylic acid
CID 1314673
2-(4-Acetamidobutyl)-3-{1-[(cis-4-carboxy-cyclohexyl)carbamoyl]cyclopentyl}propanoic acid
CID 19775807
4-[(1-Methylcyclohexanecarbonyl)amino]adamantane-1-carboxylic acid
CID 21099740
5-(2-Adamantylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 24947238
2-[1-[2-(2-Adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 24947240
3-(3-Methylbutylcarbamoyl)adamantane-1-carboxylic acid
CID 56925041

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid?
The IUPAC name of 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid (CID 45272365) is 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid is CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(=O)O)(C3)C2.
What is the InChIKey of 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid?
The InChIKey is AOPXWZBVYOUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-20(2,10-16(24)22-15-3-4-15)11-17(25)23-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)27/h12-15,18H,3-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid?
4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclopropylamino)-3,3-dimethyl-5-oxopentanoyl]amino]adamantane-1-carboxylic acid is sourced from PubChem (CID 45272365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).