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

C9H15NO5 — CID 67007770

IUPAC(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1CCCOC1
InChIInChI=1S/C9H15NO5/c1-14-9(13)10-7(8(11)12)6-3-2-4-15-5-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6?,7-/m1/s1
InChIKeyUMTLWTRSWSUNMF-COBSHVIPSA-N
MW217.22 g/mol
LogP0.22
Rot. Bonds3

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

(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid (PubChem CID 67007770) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
PubChem CID67007770
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1CCCOC1
InChIInChI=1S/C9H15NO5/c1-14-9(13)10-7(8(11)12)6-3-2-4-15-5-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6?,7-/m1/s1
InChIKeyUMTLWTRSWSUNMF-COBSHVIPSA-N
XLogP0.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120549000
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid?
The IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid (CID 67007770) is (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid?
The canonical SMILES for (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid is COC(=O)N[C@@H](C(=O)O)C1CCCOC1.
What is the InChIKey of (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid?
The InChIKey is UMTLWTRSWSUNMF-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15NO5/c1-14-9(13)10-7(8(11)12)6-3-2-4-15-5-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid?
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 0.22, 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-(oxan-3-yl)acetic acid is sourced from PubChem (CID 67007770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).