3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid

C10H17NO5 — CID 115729941

IUPAC3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)COCC1CCCO1
InChIInChI=1S/C10H17NO5/c12-9(11-4-3-10(13)14)7-15-6-8-2-1-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyXHQWDNMLUPSYRU-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds7

About 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid

3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid (PubChem CID 115729941) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
PubChem CID115729941
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)COCC1CCCO1
InChIInChI=1S/C10H17NO5/c12-9(11-4-3-10(13)14)7-15-6-8-2-1-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyXHQWDNMLUPSYRU-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 90649090
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid (CID 115729941) is 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)COCC1CCCO1.
What is the InChIKey of 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid?
The InChIKey is XHQWDNMLUPSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-9(11-4-3-10(13)14)7-15-6-8-2-1-5-16-8/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid?
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 115729941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).