methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate

C9H17NO5 — CID 104701957

IUPACmethyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
SMILESCCCOCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C9H17NO5/c1-3-4-15-6-8(12)10-7(5-11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyYJVXEAHQKRARMN-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.94
Rot. Bonds7

About methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate

methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate (PubChem CID 104701957) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
PubChem CID104701957
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
SMILESCCCOCC(=O)NC(CO)C(=O)OC
InChIInChI=1S/C9H17NO5/c1-3-4-15-6-8(12)10-7(5-11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyYJVXEAHQKRARMN-UHFFFAOYSA-N
XLogP-0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl 2-[(2-ethoxyacetyl)amino]hexanoate
CID 156704920
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate (CID 104701957) is methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate is CCCOCC(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate?
The InChIKey is YJVXEAHQKRARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-3-4-15-6-8(12)10-7(5-11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate?
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate has a molecular weight of 219.24 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate is sourced from PubChem (CID 104701957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).