methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate

C15H22N2O3 — CID 62111192

IUPACmethyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
SMILESCOC(=O)C(NC(=O)CCNC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-10-9-13(18)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyUBJCWZVXJOKXLE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds7

About methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate

methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate (PubChem CID 62111192) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
PubChem CID62111192
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
SMILESCOC(=O)C(NC(=O)CCNC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-10-9-13(18)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyUBJCWZVXJOKXLE-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82851192
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methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
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methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
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methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
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3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
methyl (2R)-2-acetamido-2-phenylacetate
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CID 60613351

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate?
The IUPAC name of methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate (CID 62111192) is methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate is COC(=O)C(NC(=O)CCNC(C)C)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate?
The InChIKey is UBJCWZVXJOKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-10-9-13(18)17-14(15(19)20-3)12-7-5-4-6-8-12/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate?
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate is sourced from PubChem (CID 62111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).