methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate

C15H16ClNO4 — CID 95934944

IUPACmethyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate
SMILESCOC(=O)[C@@H](NC(=O)C1=CCCCO1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO4/c1-20-15(19)13(10-6-2-3-7-11(10)16)17-14(18)12-8-4-5-9-21-12/h2-3,6-8,13H,4-5,9H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyNOPKQXGUGVQEEF-ZDUSSCGKSA-N
MW309.75 g/mol
LogP2.36
Rot. Bonds4

About methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate

methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate (PubChem CID 95934944) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate
PubChem CID95934944
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate
SMILESCOC(=O)[C@@H](NC(=O)C1=CCCCO1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO4/c1-20-15(19)13(10-6-2-3-7-11(10)16)17-14(18)12-8-4-5-9-21-12/h2-3,6-8,13H,4-5,9H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyNOPKQXGUGVQEEF-ZDUSSCGKSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 2-(2-chlorophenyl)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]acetate
CID 75375148
N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904694
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97234715
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
CID 174652902

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate?
The IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate (CID 95934944) is methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate.
What is the SMILES notation for methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate?
The canonical SMILES for methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate is COC(=O)[C@@H](NC(=O)C1=CCCCO1)c1ccccc1Cl.
What is the InChIKey of methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate?
The InChIKey is NOPKQXGUGVQEEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-20-15(19)13(10-6-2-3-7-11(10)16)17-14(18)12-8-4-5-9-21-12/h2-3,6-8,13H,4-5,9H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate?
methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate has a molecular weight of 309.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-chlorophenyl)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)acetate is sourced from PubChem (CID 95934944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).