5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

C15H20N2O4 — CID 62934225

IUPAC5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,8-13(19)20)7-12(18)17-9-10-4-3-5-11(6-10)14(16)21/h3-6H,7-9H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyJEGUKYUYCZUKLV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.29
Rot. Bonds7

About 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934225) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934225
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,8-13(19)20)7-12(18)17-9-10-4-3-5-11(6-10)14(16)21/h3-6H,7-9H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyJEGUKYUYCZUKLV-UHFFFAOYSA-N
XLogP1.29
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 32636451
3-[(3-aminopropanoylamino)methyl]benzamide
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3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
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3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
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5-[(4-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934888
3-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid
CID 60894410
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[(butanoylamino)methyl]benzoic acid
CID 60895851
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934225) is 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is JEGUKYUYCZUKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,8-13(19)20)7-12(18)17-9-10-4-3-5-11(6-10)14(16)21/h3-6H,7-9H2,1-2H3,(H2,16,21)(H,17,18)(H,19,20).
What are the key properties of 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).