ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate

C14H20N2O3 — CID 15546721

IUPACethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)12(16-13(17)10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyBSQUATVIMSSRED-JQWIXIFHSA-N
MW264.33 g/mol
LogP0.62
Rot. Bonds6

About ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate

ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate (PubChem CID 15546721) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
PubChem CID15546721
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Nameethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)12(16-13(17)10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyBSQUATVIMSSRED-JQWIXIFHSA-N
XLogP0.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
ethyl (2S)-2-[2-(1-hydroxyethyl)but-3-enoylamino]-3-phenylpropanoate
CID 135018453
ethyl (2S)-2-[[(2S,3S)-2,3-diacetyloxy-4-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 501435
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
ethyl (2S)-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 131719396
2-[[2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid
CID 18238003
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate (CID 15546721) is ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N.
What is the InChIKey of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate?
The InChIKey is BSQUATVIMSSRED-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(18)12(16-13(17)10(2)15)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,15H2,1-2H3,(H,16,17)/t10-,12-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate?
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate has a molecular weight of 264.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 15546721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).