(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid

C9H15NO5 — CID 107833848

IUPAC(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCCO1)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15NO5/c11-7(9(13)14)5-10-8(12)4-6-2-1-3-15-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m0/s1
InChIKeyZCAUDSDLYFCHKW-MLWJPKLSSA-N
MW217.22 g/mol
LogP-0.88
Rot. Bonds5

About (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid (PubChem CID 107833848) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
PubChem CID107833848
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCCO1)NC[C@H](O)C(=O)O
InChIInChI=1S/C9H15NO5/c11-7(9(13)14)5-10-8(12)4-6-2-1-3-15-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m0/s1
InChIKeyZCAUDSDLYFCHKW-MLWJPKLSSA-N
XLogP-0.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid (CID 107833848) is (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid is O=C(CC1CCCO1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The InChIKey is ZCAUDSDLYFCHKW-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15NO5/c11-7(9(13)14)5-10-8(12)4-6-2-1-3-15-6/h6-7,11H,1-5H2,(H,10,12)(H,13,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 107833848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).