propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride

C14H21ClN2O3 — CID 119274327

IUPACpropan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
SMILESCC(C)OC(=O)CC(NC(=O)CN)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10(2)19-14(18)8-12(16-13(17)9-15)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17);1H
InChIKeyJRYIYDACICXODO-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.57
Rot. Bonds6

About propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride

propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride (PubChem CID 119274327) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
PubChem CID119274327
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namepropan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
SMILESCC(C)OC(=O)CC(NC(=O)CN)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10(2)19-14(18)8-12(16-13(17)9-15)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17);1H
InChIKeyJRYIYDACICXODO-UHFFFAOYSA-N
XLogP1.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
CID 24516279
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
propan-2-yl 3-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-3-phenylpropanoate
CID 55439937
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
propan-2-yl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 51257037
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride?
The IUPAC name of propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride (CID 119274327) is propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride?
The canonical SMILES for propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride is CC(C)OC(=O)CC(NC(=O)CN)c1ccccc1.Cl.
What is the InChIKey of propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride?
The InChIKey is JRYIYDACICXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-10(2)19-14(18)8-12(16-13(17)9-15)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride?
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 119274327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).