2-(oxolan-3-ylmethylamino)butanoic acid

C9H17NO3 — CID 64668954

IUPAC2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCCC(NCC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-8(9(11)12)10-5-7-3-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyNAYDTYZQMDBVDO-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.48
Rot. Bonds5

About 2-(oxolan-3-ylmethylamino)butanoic acid

2-(oxolan-3-ylmethylamino)butanoic acid (PubChem CID 64668954) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)butanoic acid
PubChem CID64668954
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCCC(NCC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-8(9(11)12)10-5-7-3-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyNAYDTYZQMDBVDO-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 62823323
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
CID 94181888
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)butanoic acid?
The IUPAC name of 2-(oxolan-3-ylmethylamino)butanoic acid (CID 64668954) is 2-(oxolan-3-ylmethylamino)butanoic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)butanoic acid?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)butanoic acid is CCC(NCC1CCOC1)C(=O)O.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)butanoic acid?
The InChIKey is NAYDTYZQMDBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(9(11)12)10-5-7-3-4-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(oxolan-3-ylmethylamino)butanoic acid?
2-(oxolan-3-ylmethylamino)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)butanoic acid is sourced from PubChem (CID 64668954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).