methyl 2-(2-aminopentanoylamino)-2-phenylacetate

C14H20N2O3 — CID 62111189

IUPACmethyl 2-(2-aminopentanoylamino)-2-phenylacetate
SMILESCCCC(N)C(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-7-11(15)13(17)16-12(14(18)19-2)10-8-5-4-6-9-10/h4-6,8-9,11-12H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyPTYNSLSPBWYCDL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-(2-aminopentanoylamino)-2-phenylacetate

methyl 2-(2-aminopentanoylamino)-2-phenylacetate (PubChem CID 62111189) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-(2-aminopentanoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-aminopentanoylamino)-2-phenylacetate
PubChem CID62111189
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-(2-aminopentanoylamino)-2-phenylacetate
SMILESCCCC(N)C(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-7-11(15)13(17)16-12(14(18)19-2)10-8-5-4-6-9-10/h4-6,8-9,11-12H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyPTYNSLSPBWYCDL-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
methyl (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetate
CID 140999668
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
CID 103871010
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminopentanoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(2-aminopentanoylamino)-2-phenylacetate (CID 62111189) is methyl 2-(2-aminopentanoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-aminopentanoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-aminopentanoylamino)-2-phenylacetate is CCCC(N)C(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(2-aminopentanoylamino)-2-phenylacetate?
The InChIKey is PTYNSLSPBWYCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-7-11(15)13(17)16-12(14(18)19-2)10-8-5-4-6-9-10/h4-6,8-9,11-12H,3,7,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-(2-aminopentanoylamino)-2-phenylacetate?
methyl 2-(2-aminopentanoylamino)-2-phenylacetate has a molecular weight of 264.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminopentanoylamino)-2-phenylacetate is sourced from PubChem (CID 62111189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).