2-(benzylamino)-3-morpholin-4-ylpropanoic acid

C14H20N2O3 — CID 91254110

IUPAC2-(benzylamino)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(CN1CCOCC1)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-14(18)13(11-16-6-8-19-9-7-16)15-10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,17,18)
InChIKeyOVXLKRJLFYEFTR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.56
Rot. Bonds6

About 2-(benzylamino)-3-morpholin-4-ylpropanoic acid

2-(benzylamino)-3-morpholin-4-ylpropanoic acid (PubChem CID 91254110) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(benzylamino)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(benzylamino)-3-morpholin-4-ylpropanoic acid
PubChem CID91254110
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(benzylamino)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(CN1CCOCC1)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-14(18)13(11-16-6-8-19-9-7-16)15-10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,17,18)
InChIKeyOVXLKRJLFYEFTR-UHFFFAOYSA-N
XLogP0.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
CID 110452254
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
1-benzyl-3-morpholin-4-ylurea
CID 107653208
(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate
CID 140532876
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-(benzylamino)-3-morpholin-4-ylpropanoic acid (CID 91254110) is 2-(benzylamino)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-(benzylamino)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-(benzylamino)-3-morpholin-4-ylpropanoic acid is O=C(O)C(CN1CCOCC1)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-3-morpholin-4-ylpropanoic acid?
The InChIKey is OVXLKRJLFYEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14(18)13(11-16-6-8-19-9-7-16)15-10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,17,18).
What are the key properties of 2-(benzylamino)-3-morpholin-4-ylpropanoic acid?
2-(benzylamino)-3-morpholin-4-ylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 91254110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).