(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid

C10H20N2O4 — CID 18600789

IUPAC(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
SMILESCCOC(=O)[C@H](CCCN)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-16-10(15)8(5-4-6-11)12-7(2)9(13)14/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyOLSUAOMPMQRZAR-YUMQZZPRSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds8

About (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid

(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid (PubChem CID 18600789) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
PubChem CID18600789
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
SMILESCCOC(=O)[C@H](CCCN)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-16-10(15)8(5-4-6-11)12-7(2)9(13)14/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyOLSUAOMPMQRZAR-YUMQZZPRSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid (CID 18600789) is (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid is CCOC(=O)[C@H](CCCN)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid?
The InChIKey is OLSUAOMPMQRZAR-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-16-10(15)8(5-4-6-11)12-7(2)9(13)14/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid?
(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid is sourced from PubChem (CID 18600789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).