2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid

C15H23NO3 — CID 79809198

IUPAC2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
SMILESCCC(CC)(NCC(C)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,13(17)18)16-11-14(3,19)12-9-7-6-8-10-12/h6-10,16,19H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyRQVMQFIESYRHTR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds7

About 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid

2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid (PubChem CID 79809198) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
PubChem CID79809198
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
SMILESCCC(CC)(NCC(C)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,13(17)18)16-11-14(3,19)12-9-7-6-8-10-12/h6-10,16,19H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyRQVMQFIESYRHTR-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
CID 114154109
2-ethyl-2-(2-phenoxyethylamino)butanoic acid
CID 78974687
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
N-[4-[(2-hydroxy-2-phenylpropyl)amino]phenyl]acetamide
CID 62373656

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid (CID 79809198) is 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid is CCC(CC)(NCC(C)(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid?
The InChIKey is RQVMQFIESYRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2,13(17)18)16-11-14(3,19)12-9-7-6-8-10-12/h6-10,16,19H,4-5,11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid?
2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid is sourced from PubChem (CID 79809198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).