(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid

C7H11NO5 — CID 86330213

IUPAC(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1COC1
InChIInChI=1S/C7H11NO5/c1-12-7(11)8-5(6(9)10)4-2-13-3-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeyJPCXGAHSWZKCCO-RXMQYKEDSA-N
MW189.17 g/mol
LogP-0.56
Rot. Bonds3

About (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid

(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid (PubChem CID 86330213) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
PubChem CID86330213
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1COC1
InChIInChI=1S/C7H11NO5/c1-12-7(11)8-5(6(9)10)4-2-13-3-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKeyJPCXGAHSWZKCCO-RXMQYKEDSA-N
XLogP-0.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid (CID 86330213) is (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The canonical SMILES for (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid is COC(=O)N[C@@H](C(=O)O)C1COC1.
What is the InChIKey of (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The InChIKey is JPCXGAHSWZKCCO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO5/c1-12-7(11)8-5(6(9)10)4-2-13-3-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid has a molecular weight of 189.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid is sourced from PubChem (CID 86330213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).