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

C13H17NO3 — CID 54889756

IUPAC2-(benzylamino)-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)C1CCOC1
InChIInChI=1S/C13H17NO3/c15-13(16)12(11-6-7-17-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyGOLWKOTWCCFQJU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.27
Rot. Bonds5

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

2-(benzylamino)-2-(oxolan-3-yl)acetic acid (PubChem CID 54889756) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(benzylamino)-2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-(oxolan-3-yl)acetic acid
PubChem CID54889756
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(benzylamino)-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)C1CCOC1
InChIInChI=1S/C13H17NO3/c15-13(16)12(11-6-7-17-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyGOLWKOTWCCFQJU-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
CID 61002881
(2S)-2-(benzylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392115
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid
CID 167842135
2-[(3-chloro-4-methylphenyl)methylamino]-2-(oxan-4-yl)acetic acid
CID 166253483
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
2-(benzylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)acetic acid
CID 103277271
3-(3-chlorophenyl)-2-(oxolan-3-yl)propanoic acid
CID 79419047

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2-(benzylamino)-2-(oxolan-3-yl)acetic acid (CID 54889756) is 2-(benzylamino)-2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(benzylamino)-2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2-(benzylamino)-2-(oxolan-3-yl)acetic acid is O=C(O)C(NCc1ccccc1)C1CCOC1.
What is the InChIKey of 2-(benzylamino)-2-(oxolan-3-yl)acetic acid?
The InChIKey is GOLWKOTWCCFQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12(11-6-7-17-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16).
What are the key properties of 2-(benzylamino)-2-(oxolan-3-yl)acetic acid?
2-(benzylamino)-2-(oxolan-3-yl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 54889756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).