(4-hydroxyoxolan-3-yl) 2-aminoacetate

C6H11NO4 — CID 131172210

IUPAC(4-hydroxyoxolan-3-yl) 2-aminoacetate
SMILESNCC(=O)OC1COCC1O
InChIInChI=1S/C6H11NO4/c7-1-6(9)11-5-3-10-2-4(5)8/h4-5,8H,1-3,7H2
InChIKeyCDWDRAPBRNBLFU-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.75
Rot. Bonds2

About (4-hydroxyoxolan-3-yl) 2-aminoacetate

(4-hydroxyoxolan-3-yl) 2-aminoacetate (PubChem CID 131172210) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4-hydroxyoxolan-3-yl) 2-aminoacetate.

Molecular Properties

Compound Name(4-hydroxyoxolan-3-yl) 2-aminoacetate
PubChem CID131172210
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(4-hydroxyoxolan-3-yl) 2-aminoacetate
SMILESNCC(=O)OC1COCC1O
InChIInChI=1S/C6H11NO4/c7-1-6(9)11-5-3-10-2-4(5)8/h4-5,8H,1-3,7H2
InChIKeyCDWDRAPBRNBLFU-UHFFFAOYSA-N
XLogP-1.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxyoxolan-3-yl) acetate
CID 14785283
[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
CID 11137612
(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate
CID 163702253
[(3R,5S)-5-hexanoyloxy-4-hydroxyoxan-3-yl] hexanoate
CID 129219687
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
(4-hydroxyoxolan-3-yl) hypoiodite
CID 134388200
4-(2-amino-2-methylpropoxy)oxolan-3-ol
CID 130502861
[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
CID 102394469
(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
CID 154684447
diethyl 2-[(3R,4S)-4-hydroxyoxolan-3-yl]propanedioate
CID 139791909
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyoxolan-3-yl) 2-aminoacetate?
The IUPAC name of (4-hydroxyoxolan-3-yl) 2-aminoacetate (CID 131172210) is (4-hydroxyoxolan-3-yl) 2-aminoacetate.
What is the SMILES notation for (4-hydroxyoxolan-3-yl) 2-aminoacetate?
The canonical SMILES for (4-hydroxyoxolan-3-yl) 2-aminoacetate is NCC(=O)OC1COCC1O.
What is the InChIKey of (4-hydroxyoxolan-3-yl) 2-aminoacetate?
The InChIKey is CDWDRAPBRNBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-1-6(9)11-5-3-10-2-4(5)8/h4-5,8H,1-3,7H2.
What are the key properties of (4-hydroxyoxolan-3-yl) 2-aminoacetate?
(4-hydroxyoxolan-3-yl) 2-aminoacetate has a molecular weight of 161.16 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyoxolan-3-yl) 2-aminoacetate is sourced from PubChem (CID 131172210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).