(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid

C14H21NO4 — CID 153486993

IUPAC(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid
SMILESC[C@H](CN(C)[C@@H](CO)C(=O)O)OCc1ccccc1
InChIInChI=1S/C14H21NO4/c1-11(8-15(2)13(9-16)14(17)18)19-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyNEDUFOKBHQCPFK-YPMHNXCESA-N
MW267.32 g/mol
LogP0.97
Rot. Bonds8

About (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid

(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid (PubChem CID 153486993) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid
PubChem CID153486993
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid
SMILESC[C@H](CN(C)[C@@H](CO)C(=O)O)OCc1ccccc1
InChIInChI=1S/C14H21NO4/c1-11(8-15(2)13(9-16)14(17)18)19-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyNEDUFOKBHQCPFK-YPMHNXCESA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
(3R)-3-phenylmethoxybutanoyl chloride
CID 13496815
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
(4S)-1-bromo-4-phenylmethoxypentan-2-one
CID 86658652
methanol;3-phenylmethoxybutanal
CID 170758415
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid (CID 153486993) is (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid is C[C@H](CN(C)[C@@H](CO)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid?
The InChIKey is NEDUFOKBHQCPFK-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21NO4/c1-11(8-15(2)13(9-16)14(17)18)19-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid has a molecular weight of 267.32 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[methyl-[(2R)-2-phenylmethoxypropyl]amino]propanoic acid is sourced from PubChem (CID 153486993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).