1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid

C16H22N2O3 — CID 115445799

IUPAC1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C(=O)NCC1(C(=O)O)CCC1)C(N)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(13(17)12-6-3-2-4-7-12)14(19)18-10-16(15(20)21)8-5-9-16/h2-4,6-7,11,13H,5,8-10,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyRTSIVYFWJMGENU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds6

About 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445799) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445799
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C(=O)NCC1(C(=O)O)CCC1)C(N)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(13(17)12-6-3-2-4-7-12)14(19)18-10-16(15(20)21)8-5-9-16/h2-4,6-7,11,13H,5,8-10,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyRTSIVYFWJMGENU-UHFFFAOYSA-N
XLogP1.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[(1-propylcyclobutyl)methyl]propanamide;hydrochloride
CID 119821711
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119820368
3-amino-2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-phenylpropanamide
CID 119805546
3-amino-2-methyl-N-(1-methylcyclopentyl)-3-phenylpropanamide
CID 80552093
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
1-[[(2-ethoxy-2-phenylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543746
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445799) is 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid is CC(C(=O)NCC1(C(=O)O)CCC1)C(N)c1ccccc1.
What is the InChIKey of 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is RTSIVYFWJMGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(13(17)12-6-3-2-4-7-12)14(19)18-10-16(15(20)21)8-5-9-16/h2-4,6-7,11,13H,5,8-10,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).