2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid

C13H25NO3 — CID 65161725

IUPAC2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
SMILESCCC(C)N(CCCC1CCCO1)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-11(2)14(10-13(15)16)8-4-6-12-7-5-9-17-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyMEKKFUMOTFBNCA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds8

About 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid

2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid (PubChem CID 65161725) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
PubChem CID65161725
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
SMILESCCC(C)N(CCCC1CCCO1)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-11(2)14(10-13(15)16)8-4-6-12-7-5-9-17-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyMEKKFUMOTFBNCA-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 107440629
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
7-(oxolan-2-yl)heptanoic acid
CID 174977398
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
CID 66113895
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid (CID 65161725) is 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid is CCC(C)N(CCCC1CCCO1)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid?
The InChIKey is MEKKFUMOTFBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-11(2)14(10-13(15)16)8-4-6-12-7-5-9-17-12/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid?
2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid is sourced from PubChem (CID 65161725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).