(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride

C13H21ClN2O2 — CID 119335271

IUPAC(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
SMILESCC(COCc1ccccc1)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(15-13(16)11(2)14)8-17-9-12-6-4-3-5-7-12;/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16);1H/t10?,11-;/m0./s1
InChIKeyYPQZNBVUEUMHRA-GQNCZFCYSA-N
MW272.78 g/mol
LogP1.48
Rot. Bonds6

About (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride

(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride (PubChem CID 119335271) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
PubChem CID119335271
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
SMILESCC(COCc1ccccc1)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(15-13(16)11(2)14)8-17-9-12-6-4-3-5-7-12;/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16);1H/t10?,11-;/m0./s1
InChIKeyYPQZNBVUEUMHRA-GQNCZFCYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
2-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride (CID 119335271) is (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride is CC(COCc1ccccc1)NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride?
The InChIKey is YPQZNBVUEUMHRA-GQNCZFCYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10(15-13(16)11(2)14)8-17-9-12-6-4-3-5-7-12;/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16);1H/t10?,11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119335271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).