2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid

C10H17NO5 — CID 66746416

IUPAC2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
SMILESCOC(=O)NC(C(=O)O)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8?/m0/s1
InChIKeyBFYQMOAIQQHPCI-KJFJCRTCSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid

2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid (PubChem CID 66746416) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
PubChem CID66746416
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
SMILESCOC(=O)NC(C(=O)O)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8?/m0/s1
InChIKeyBFYQMOAIQQHPCI-KJFJCRTCSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid (CID 66746416) is 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid is COC(=O)NC(C(=O)O)[C@@H]1CCO[C@@H](C)C1.
What is the InChIKey of 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The InChIKey is BFYQMOAIQQHPCI-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8?/m0/s1.
What are the key properties of 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid is sourced from PubChem (CID 66746416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).