2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid

C7H11NO5 — CID 104855713

IUPAC2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)[C@H]1CCCO1
InChIInChI=1S/C7H11NO5/c9-6(10)4-13-8-7(11)5-2-1-3-12-5/h5H,1-4H2,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeySMSLFBPNLMTJMW-RXMQYKEDSA-N
MW189.17 g/mol
LogP-0.70
Rot. Bonds4

About 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid

2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid (PubChem CID 104855713) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
PubChem CID104855713
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)[C@H]1CCCO1
InChIInChI=1S/C7H11NO5/c9-6(10)4-13-8-7(11)5-2-1-3-12-5/h5H,1-4H2,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeySMSLFBPNLMTJMW-RXMQYKEDSA-N
XLogP-0.70
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
CID 103901237
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
N-cyclopentyloxyoxane-2-carboxamide
CID 83202578
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
4,4-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855942
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid (CID 104855713) is 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid is O=C(O)CONC(=O)[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid?
The InChIKey is SMSLFBPNLMTJMW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO5/c9-6(10)4-13-8-7(11)5-2-1-3-12-5/h5H,1-4H2,(H,8,11)(H,9,10)/t5-/m1/s1.
What are the key properties of 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid?
2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid has a molecular weight of 189.17 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid is sourced from PubChem (CID 104855713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).