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

C10H19NO3 — CID 61002881

IUPAC2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
SMILESCC(C)CNC(C(=O)O)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)5-11-9(10(12)13)8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYGQUWYSHQPXQLX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.72
Rot. Bonds5

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

2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid (PubChem CID 61002881) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
PubChem CID61002881
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
SMILESCC(C)CNC(C(=O)O)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)5-11-9(10(12)13)8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYGQUWYSHQPXQLX-UHFFFAOYSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
2-formamido-2-(oxolan-3-yl)acetic acid
CID 63690047
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
2-(cycloheptylamino)-2-(oxolan-3-yl)acetic acid
CID 54892838
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
CID 129372213
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid (CID 61002881) is 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid is CC(C)CNC(C(=O)O)C1CCOC1.
What is the InChIKey of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid?
The InChIKey is YGQUWYSHQPXQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)5-11-9(10(12)13)8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid?
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 61002881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).