(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide

C15H20ClN3O3 — CID 120795520

IUPAC(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-15(14(18)21,9-3-2-4-10(16)7-9)19-13(20)12-6-5-11(8-17)22-12/h2-4,7,11-12H,5-6,8,17H2,1H3,(H2,18,21)(H,19,20)/t11-,12+,15?/m1/s1
InChIKeyMYYXSOLGKWLHBU-ZVORSSOTSA-N
MW325.80 g/mol
LogP0.66
Rot. Bonds5

About (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide

(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide (PubChem CID 120795520) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
PubChem CID120795520
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3/c1-15(14(18)21,9-3-2-4-10(16)7-9)19-13(20)12-6-5-11(8-17)22-12/h2-4,7,11-12H,5-6,8,17H2,1H3,(H2,18,21)(H,19,20)/t11-,12+,15?/m1/s1
InChIKeyMYYXSOLGKWLHBU-ZVORSSOTSA-N
XLogP0.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794225
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223
2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120795911
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
(2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788675
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(cyclopropylamino)phenyl]oxolane-2-carboxamide
CID 120798578

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide (CID 120795520) is (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide?
The InChIKey is MYYXSOLGKWLHBU-ZVORSSOTSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-15(14(18)21,9-3-2-4-10(16)7-9)19-13(20)12-6-5-11(8-17)22-12/h2-4,7,11-12H,5-6,8,17H2,1H3,(H2,18,21)(H,19,20)/t11-,12+,15?/m1/s1.
What are the key properties of (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide?
(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120795520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).