methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate

C15H21ClN2O3 — CID 155765915

IUPACmethyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1C[C@@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)14-10-21-7-6-18(14)9-13(17)8-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3/t13-,14-/m0/s1
InChIKeySVTDBXZUBQXPAF-KBPBESRZSA-N
MW312.80 g/mol
LogP1.08
Rot. Bonds5

About methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate

methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate (PubChem CID 155765915) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate
PubChem CID155765915
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1C[C@@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)14-10-21-7-6-18(14)9-13(17)8-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3/t13-,14-/m0/s1
InChIKeySVTDBXZUBQXPAF-KBPBESRZSA-N
XLogP1.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
CID 68524522
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554529
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
CID 106992909
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate?
The IUPAC name of methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate (CID 155765915) is methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate?
The canonical SMILES for methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate is COC(=O)[C@@H]1COCCN1C[C@@H](N)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate?
The InChIKey is SVTDBXZUBQXPAF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-15(19)14-10-21-7-6-18(14)9-13(17)8-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3/t13-,14-/m0/s1.
What are the key properties of methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate?
methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate has a molecular weight of 312.80 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate is sourced from PubChem (CID 155765915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).