N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119305205

IUPACN-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(16)14(19)17-9-11-4-2-5-12(8-11)18-15(20)13-6-3-7-21-13;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H,17,19)(H,18,20);1H/t10-,13?;/m1./s1
InChIKeyWWOUTXQMDJUQGW-HXOUFFEYSA-N
MW327.81 g/mol
LogP1.19
Rot. Bonds5

About N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119305205) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119305205
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(16)14(19)17-9-11-4-2-5-12(8-11)18-15(20)13-6-3-7-21-13;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H,17,19)(H,18,20);1H/t10-,13?;/m1./s1
InChIKeyWWOUTXQMDJUQGW-HXOUFFEYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305197
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47898268
N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-[(7-aminoheptanoylamino)methyl]phenyl]oxolane-2-carboxamide
CID 119751979

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119305205) is N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride is C[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCO2)c1.Cl.
What is the InChIKey of N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is WWOUTXQMDJUQGW-HXOUFFEYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10(16)14(19)17-9-11-4-2-5-12(8-11)18-15(20)13-6-3-7-21-13;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H,17,19)(H,18,20);1H/t10-,13?;/m1./s1.
What are the key properties of N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119305205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).