4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C15H27NO3 — CID 114107533

IUPAC4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC1(CNC(=O)CC(C)(C(=O)O)C(C)C)CCC1
InChIInChI=1S/C15H27NO3/c1-5-15(7-6-8-15)10-16-12(17)9-14(4,11(2)3)13(18)19/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyRCUSUBCPNFTWPA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds7

About 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 114107533) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID114107533
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC1(CNC(=O)CC(C)(C(=O)O)C(C)C)CCC1
InChIInChI=1S/C15H27NO3/c1-5-15(7-6-8-15)10-16-12(17)9-14(4,11(2)3)13(18)19/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyRCUSUBCPNFTWPA-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703695
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
4-(2,2-difluoroethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 115405506
2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
CID 115358209
4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 79861192
N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896
2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 119161010
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 114107533) is 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCC1(CNC(=O)CC(C)(C(=O)O)C(C)C)CCC1.
What is the InChIKey of 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is RCUSUBCPNFTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-15(7-6-8-15)10-16-12(17)9-14(4,11(2)3)13(18)19/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 114107533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).