methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate

C14H20N2O3 — CID 93371927

IUPACmethyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-9-16(10-12(17)19-2)14(18)13(15)11-7-5-4-6-8-11/h4-8,13H,3,9-10,15H2,1-2H3/t13-/m0/s1
InChIKeyQWBVPGSSXSFIQX-ZDUSSCGKSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds6

About methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate

methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate (PubChem CID 93371927) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
PubChem CID93371927
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-9-16(10-12(17)19-2)14(18)13(15)11-7-5-4-6-8-11/h4-8,13H,3,9-10,15H2,1-2H3/t13-/m0/s1
InChIKeyQWBVPGSSXSFIQX-ZDUSSCGKSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)-propylamino]acetate
CID 115286648
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate (CID 93371927) is methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate is CCCN(CC(=O)OC)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate?
The InChIKey is QWBVPGSSXSFIQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-9-16(10-12(17)19-2)14(18)13(15)11-7-5-4-6-8-11/h4-8,13H,3,9-10,15H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate?
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate is sourced from PubChem (CID 93371927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).