(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid

C9H17NO5 — CID 80750974

IUPAC(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
SMILESCCCOCCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H17NO5/c1-2-4-15-5-3-8(12)10-7(6-11)9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyNNZYLOYJFXTCBL-SSDOTTSWSA-N
MW219.24 g/mol
LogP-0.64
Rot. Bonds8

About (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid

(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid (PubChem CID 80750974) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
PubChem CID80750974
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
SMILESCCCOCCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H17NO5/c1-2-4-15-5-3-8(12)10-7(6-11)9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyNNZYLOYJFXTCBL-SSDOTTSWSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
CID 80750602
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-3-hydroxy-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanoic acid
CID 61152760
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
(2S)-4-methylsulfanyl-2-(3-propoxypropanoylamino)butanoic acid
CID 62715100
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-3-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104204
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid (CID 80750974) is (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid is CCCOCCC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid?
The InChIKey is NNZYLOYJFXTCBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO5/c1-2-4-15-5-3-8(12)10-7(6-11)9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid?
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid is sourced from PubChem (CID 80750974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).