methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate

C16H18ClNO4 — CID 78884644

IUPACmethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C(C)C
InChIInChI=1S/C16H18ClNO4/c1-10(2)18(8-15(19)21-3)16(20)12-6-11-7-13(17)4-5-14(11)22-9-12/h4-7,10H,8-9H2,1-3H3
InChIKeyTWLAHELEWMKPOY-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78884644) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID78884644
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C(C)C
InChIInChI=1S/C16H18ClNO4/c1-10(2)18(8-15(19)21-3)16(20)12-6-11-7-13(17)4-5-14(11)22-9-12/h4-7,10H,8-9H2,1-3H3
InChIKeyTWLAHELEWMKPOY-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(5-chloro-2-iodobenzoyl)-propan-2-ylamino]acetate
CID 113223737
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate (CID 78884644) is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C(C)C.
What is the InChIKey of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is TWLAHELEWMKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-10(2)18(8-15(19)21-3)16(20)12-6-11-7-13(17)4-5-14(11)22-9-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 323.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78884644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).