2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid

C14H17NO5 — CID 22309313

IUPAC2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCOC1)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-13(17)12(11-6-7-19-9-11)15-14(18)20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17)
InChIKeyVRXVLJWCEOTUPH-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.40
Rot. Bonds5

About 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid

2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 22309313) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID22309313
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCOC1)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-13(17)12(11-6-7-19-9-11)15-14(18)20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17)
InChIKeyVRXVLJWCEOTUPH-UHFFFAOYSA-N
XLogP1.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
2-(6-oxaspiro[4.5]decan-9-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103739444
2-(3,5-dimethylcyclohexyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103686698
2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
CID 155209815
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
methyl (2S)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 58911777
methyl (2S)-2-[(7R)-4-oxaspiro[2.5]octan-7-yl]-2-(phenylmethoxycarbonylamino)acetate;methyl (2S)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]-2-(phenylmethoxycarbonylamino)acetate
CID 162106511
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid (CID 22309313) is 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)C1CCOC1)OCc1ccccc1.
What is the InChIKey of 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is VRXVLJWCEOTUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-13(17)12(11-6-7-19-9-11)15-14(18)20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17).
What are the key properties of 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid?
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 22309313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).