methyl 2-acetamido-3-(1-phenylpropylamino)propanoate

C15H22N2O3 — CID 103248077

IUPACmethyl 2-acetamido-3-(1-phenylpropylamino)propanoate
SMILESCCC(NCC(NC(C)=O)C(=O)OC)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-13(12-8-6-5-7-9-12)16-10-14(15(19)20-3)17-11(2)18/h5-9,13-14,16H,4,10H2,1-3H3,(H,17,18)
InChIKeyGLKSKJOUZQDESN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds7

About methyl 2-acetamido-3-(1-phenylpropylamino)propanoate

methyl 2-acetamido-3-(1-phenylpropylamino)propanoate (PubChem CID 103248077) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-acetamido-3-(1-phenylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(1-phenylpropylamino)propanoate
PubChem CID103248077
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-acetamido-3-(1-phenylpropylamino)propanoate
SMILESCCC(NCC(NC(C)=O)C(=O)OC)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-13(12-8-6-5-7-9-12)16-10-14(15(19)20-3)17-11(2)18/h5-9,13-14,16H,4,10H2,1-3H3,(H,17,18)
InChIKeyGLKSKJOUZQDESN-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

2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
methyl 2-acetamido-4-ethyl-3-phenylhexanoate
CID 85321757
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
CID 103241769
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
methyl (2S)-2-acetamidobutanoate
CID 11084154
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(1-phenylpropylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(1-phenylpropylamino)propanoate (CID 103248077) is methyl 2-acetamido-3-(1-phenylpropylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(1-phenylpropylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(1-phenylpropylamino)propanoate is CCC(NCC(NC(C)=O)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-acetamido-3-(1-phenylpropylamino)propanoate?
The InChIKey is GLKSKJOUZQDESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13(12-8-6-5-7-9-12)16-10-14(15(19)20-3)17-11(2)18/h5-9,13-14,16H,4,10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-acetamido-3-(1-phenylpropylamino)propanoate?
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate 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-acetamido-3-(1-phenylpropylamino)propanoate is sourced from PubChem (CID 103248077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).