2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid

C8H13NO5 — CID 66719746

IUPAC2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid
SMILESCOC(=O)NC(C)(C(=O)O)C1COC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)11,5-3-14-4-5)9-7(12)13-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCHSBBISAAAWJGM-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.17
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid

2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid (PubChem CID 66719746) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid
PubChem CID66719746
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid
SMILESCOC(=O)NC(C)(C(=O)O)C1COC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)11,5-3-14-4-5)9-7(12)13-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCHSBBISAAAWJGM-UHFFFAOYSA-N
XLogP-0.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
CID 152625765
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
CID 114240910
2-(methoxycarbonylamino)-2-phosphonopropanoic acid
CID 173280399
2-cyclohexyl-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid
CID 169081158
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-methoxy-2-(oxan-3-yl)propanoic acid
CID 105443022
2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61418982
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 54948552
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid (CID 66719746) is 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid is COC(=O)NC(C)(C(=O)O)C1COC1.
What is the InChIKey of 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid?
The InChIKey is CHSBBISAAAWJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(6(10)11,5-3-14-4-5)9-7(12)13-2/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid?
2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid is sourced from PubChem (CID 66719746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).