(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide

C13H20N2O3 — CID 114155842

IUPAC(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
SMILESCOCC(CO)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-18-9-11(8-16)15-13(17)12(14)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9,14H2,1H3,(H,15,17)/t11?,12-/m1/s1
InChIKeyDZEMLCPRBLMBGS-PIJUOVFKSA-N
MW252.31 g/mol
LogP-0.32
Rot. Bonds7

About (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide

(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide (PubChem CID 114155842) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
PubChem CID114155842
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
SMILESCOCC(CO)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-18-9-11(8-16)15-13(17)12(14)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9,14H2,1H3,(H,15,17)/t11?,12-/m1/s1
InChIKeyDZEMLCPRBLMBGS-PIJUOVFKSA-N
XLogP-0.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoate
CID 11425598
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 11771430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide (CID 114155842) is (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide is COCC(CO)NC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide?
The InChIKey is DZEMLCPRBLMBGS-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-9-11(8-16)15-13(17)12(14)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9,14H2,1H3,(H,15,17)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide?
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide has a molecular weight of 252.31 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 114155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).