methyl 2-(5-aminohexanoylamino)-2-phenylacetate

C15H22N2O3 — CID 82851192

IUPACmethyl 2-(5-aminohexanoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CCCC(C)N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(16)7-6-10-13(18)17-14(15(19)20-2)12-8-4-3-5-9-12/h3-5,8-9,11,14H,6-7,10,16H2,1-2H3,(H,17,18)
InChIKeyDNTDGHYXXACIEK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds7

About methyl 2-(5-aminohexanoylamino)-2-phenylacetate

methyl 2-(5-aminohexanoylamino)-2-phenylacetate (PubChem CID 82851192) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-(5-aminohexanoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(5-aminohexanoylamino)-2-phenylacetate
PubChem CID82851192
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-(5-aminohexanoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CCCC(C)N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(16)7-6-10-13(18)17-14(15(19)20-2)12-8-4-3-5-9-12/h3-5,8-9,11,14H,6-7,10,16H2,1-2H3,(H,17,18)
InChIKeyDNTDGHYXXACIEK-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-[4-(cyclopropanecarbonylamino)butanoylamino]-2-phenylacetate
CID 60613351
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-aminohexanoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(5-aminohexanoylamino)-2-phenylacetate (CID 82851192) is methyl 2-(5-aminohexanoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(5-aminohexanoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(5-aminohexanoylamino)-2-phenylacetate is COC(=O)C(NC(=O)CCCC(C)N)c1ccccc1.
What is the InChIKey of methyl 2-(5-aminohexanoylamino)-2-phenylacetate?
The InChIKey is DNTDGHYXXACIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(16)7-6-10-13(18)17-14(15(19)20-2)12-8-4-3-5-9-12/h3-5,8-9,11,14H,6-7,10,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-(5-aminohexanoylamino)-2-phenylacetate?
methyl 2-(5-aminohexanoylamino)-2-phenylacetate has a molecular weight of 278.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-aminohexanoylamino)-2-phenylacetate is sourced from PubChem (CID 82851192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).