methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate

C18H20N2O3 — CID 141178537

IUPACmethyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)15-9-7-14(8-10-15)17(21)20-12-16(19)11-13-5-3-2-4-6-13/h2-10,16H,11-12,19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyCXQDVLHBHZFQJT-MRXNPFEDSA-N
MW312.37 g/mol
LogP1.77
Rot. Bonds6

About methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate

methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate (PubChem CID 141178537) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate
PubChem CID141178537
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)15-9-7-14(8-10-15)17(21)20-12-16(19)11-13-5-3-2-4-6-13/h2-10,16H,11-12,19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyCXQDVLHBHZFQJT-MRXNPFEDSA-N
XLogP1.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate
CID 66837240
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate;hydrochloride
CID 86698259
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
(2-amino-3-phenylpropyl)urea
CID 137464572
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate (CID 141178537) is methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC[C@H](N)Cc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate?
The InChIKey is CXQDVLHBHZFQJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-18(22)15-9-7-14(8-10-15)17(21)20-12-16(19)11-13-5-3-2-4-6-13/h2-10,16H,11-12,19H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate?
methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-amino-3-phenylpropyl]carbamoyl]benzoate is sourced from PubChem (CID 141178537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).