2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid

C12H19NO5 — CID 120548683

IUPAC2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)C1CCCO1
InChIInChI=1S/C12H19NO5/c14-11(9-4-2-6-18-9)13-10(12(15)16)8-3-1-5-17-7-8/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyZVZMVZMIEALHNR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.16
Rot. Bonds4

About 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid

2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid (PubChem CID 120548683) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
PubChem CID120548683
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)C1CCCO1
InChIInChI=1S/C12H19NO5/c14-11(9-4-2-6-18-9)13-10(12(15)16)8-3-1-5-17-7-8/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyZVZMVZMIEALHNR-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548454
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid (CID 120548683) is 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CCCOC1)C1CCCO1.
What is the InChIKey of 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid?
The InChIKey is ZVZMVZMIEALHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(9-4-2-6-18-9)13-10(12(15)16)8-3-1-5-17-7-8/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid?
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid is sourced from PubChem (CID 120548683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).