(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride

C18H26ClN3O5 — CID 120786885

IUPAC(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C18H25N3O5.ClH/c1-24-14-6-4-12(21-18(23)15-7-5-13(9-19)26-15)8-16(14)25-10-17(22)20-11-2-3-11;/h4,6,8,11,13,15H,2-3,5,7,9-10,19H2,1H3,(H,20,22)(H,21,23);1H/t13-,15+;/m1./s1
InChIKeyRQMPLAFETRVHLS-PBCQUBLHSA-N
MW399.88 g/mol
LogP1.22
Rot. Bonds8

About (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120786885) has the molecular formula C18H26ClN3O5 and a molecular weight of 399.88 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120786885
Molecular FormulaC18H26ClN3O5
Molecular Weight399.88 g/mol
Exact Mass399.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C18H25N3O5.ClH/c1-24-14-6-4-12(21-18(23)15-7-5-13(9-19)26-15)8-16(14)25-10-17(22)20-11-2-3-11;/h4,6,8,11,13,15H,2-3,5,7,9-10,19H2,1H3,(H,20,22)(H,21,23);1H/t13-,15+;/m1./s1
InChIKeyRQMPLAFETRVHLS-PBCQUBLHSA-N
XLogP1.22
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 120783154
(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
CID 120782760
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
CID 119717548
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
(2S,5R)-5-(aminomethyl)-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785449
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride (CID 120786885) is (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride is COc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1OCC(=O)NC1CC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is RQMPLAFETRVHLS-PBCQUBLHSA-N. The full InChI is InChI=1S/C18H25N3O5.ClH/c1-24-14-6-4-12(21-18(23)15-7-5-13(9-19)26-15)8-16(14)25-10-17(22)20-11-2-3-11;/h4,6,8,11,13,15H,2-3,5,7,9-10,19H2,1H3,(H,20,22)(H,21,23);1H/t13-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 399.88 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120786885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).