(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid

C8H15NO5 — CID 80750602

IUPAC(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
SMILESCCOCCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H15NO5/c1-2-14-4-3-7(11)9-6(5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1
InChIKeyNCMBBWQOGKHCAN-ZCFIWIBFSA-N
MW205.21 g/mol
LogP-1.03
Rot. Bonds7

About (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid

(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid (PubChem CID 80750602) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
PubChem CID80750602
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
SMILESCCOCCC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H15NO5/c1-2-14-4-3-7(11)9-6(5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1
InChIKeyNCMBBWQOGKHCAN-ZCFIWIBFSA-N
XLogP-1.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
(2S)-3-hydroxy-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanoic acid
CID 61152760
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid (CID 80750602) is (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid is CCOCCC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid?
The InChIKey is NCMBBWQOGKHCAN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO5/c1-2-14-4-3-7(11)9-6(5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid?
(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 80750602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).